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/seq_2-869b13ce/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq_2-869b13ce/inputs/seq.fa: 1 curr_seq: _CUUGGCAACGGAUAUCUCGGCUCUCGCAUCGAUGAAGAACGUAGCGAAAUGCGAUACUUGGUGUGAAUUGCAGAAUCCCGUGAACCAUCGAGUCUUUGACCGCAAGUUGCGCCCGAAGCCAUUAGGCCGAGGGCACGGCUGCCUGGGCGUCACGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUUGGCAACGGAUAUCUCGGCUCUCGCAUCGAUGAAGAACGUAGCGAAAUGCGAUACUUGGUGUGAAUUGCAGAAUCCCGUGAACCAUCGAGUCUUUGACCGCAAGUUGCGCCCGAAGCCAUUAGGCCGAGGGCACGGCUGCCUGGGCGUCACGC 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 155 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: 780 n_atoms_counter: 780 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 155.000000 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/seq_2-869b13ce/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq_2-869b13ce/inputs/seq.fa: 1 curr_seq: _CUUGGCAACGGAUAUCUCGGCUCUCGCAUCGAUGAAGAACGUAGCGAAAUGCGAUACUUGGUGUGAAUUGCAGAAUCCCGUGAACCAUCGAGUCUUUGACCGCAAGUUGCGCCCGAAGCCAUUAGGCCGAGGGCACGGCUGCCUGGGCGUCACGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUUGGCAACGGAUAUCUCGGCUCUCGCAUCGAUGAAGAACGUAGCGAAAUGCGAUACUUGGUGUGAAUUGCAGAAUCCCGUGAACCAUCGAGUCUUUGACCGCAAGUUGCGCCCGAAGCCAUUAGGCCGAGGGCACGGCUGCCUGGGCGUCACGC 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 155 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: 780 n_atoms_counter: 780 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 155.000000 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/seq_2-869b13ce/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq_2-869b13ce/inputs/seq.fa: 1 curr_seq: _CUUGGCAACGGAUAUCUCGGCUCUCGCAUCGAUGAAGAACGUAGCGAAAUGCGAUACUUGGUGUGAAUUGCAGAAUCCCGUGAACCAUCGAGUCUUUGACCGCAAGUUGCGCCCGAAGCCAUUAGGCCGAGGGCACGGCUGCCUGGGCGUCACGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUUGGCAACGGAUAUCUCGGCUCUCGCAUCGAUGAAGAACGUAGCGAAAUGCGAUACUUGGUGUGAAUUGCAGAAUCCCGUGAACCAUCGAGUCUUUGACCGCAAGUUGCGCCCGAAGCCAUUAGGCCGAGGGCACGGCUGCCUGGGCGUCACGC 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 155 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: 780 n_atoms_counter: 780 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 155.000000 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/seq_2-869b13ce/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq_2-869b13ce/inputs/seq.fa: 1 curr_seq: _CUUGGCAACGGAUAUCUCGGCUCUCGCAUCGAUGAAGAACGUAGCGAAAUGCGAUACUUGGUGUGAAUUGCAGAAUCCCGUGAACCAUCGAGUCUUUGACCGCAAGUUGCGCCCGAAGCCAUUAGGCCGAGGGCACGGCUGCCUGGGCGUCACGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUUGGCAACGGAUAUCUCGGCUCUCGCAUCGAUGAAGAACGUAGCGAAAUGCGAUACUUGGUGUGAAUUGCAGAAUCCCGUGAACCAUCGAGUCUUUGACCGCAAGUUGCGCCCGAAGCCAUUAGGCCGAGGGCACGGCUGCCUGGGCGUCACGC 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 155 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: 780 n_atoms_counter: 780 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 155.000000 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/seq_2-869b13ce/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq_2-869b13ce/inputs/seq.fa: 1 curr_seq: _CUUGGCAACGGAUAUCUCGGCUCUCGCAUCGAUGAAGAACGUAGCGAAAUGCGAUACUUGGUGUGAAUUGCAGAAUCCCGUGAACCAUCGAGUCUUUGACCGCAAGUUGCGCCCGAAGCCAUUAGGCCGAGGGCACGGCUGCCUGGGCGUCACGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUUGGCAACGGAUAUCUCGGCUCUCGCAUCGAUGAAGAACGUAGCGAAAUGCGAUACUUGGUGUGAAUUGCAGAAUCCCGUGAACCAUCGAGUCUUUGACCGCAAGUUGCGCCCGAAGCCAUUAGGCCGAGGGCACGGCUGCCUGGGCGUCACGC 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 155 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: 780 n_atoms_counter: 780 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 155.000000 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/seq_2-869b13ce/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq_2-869b13ce/inputs/seq.fa: 1 curr_seq: _CUUGGCAACGGAUAUCUCGGCUCUCGCAUCGAUGAAGAACGUAGCGAAAUGCGAUACUUGGUGUGAAUUGCAGAAUCCCGUGAACCAUCGAGUCUUUGACCGCAAGUUGCGCCCGAAGCCAUUAGGCCGAGGGCACGGCUGCCUGGGCGUCACGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUUGGCAACGGAUAUCUCGGCUCUCGCAUCGAUGAAGAACGUAGCGAAAUGCGAUACUUGGUGUGAAUUGCAGAAUCCCGUGAACCAUCGAGUCUUUGACCGCAAGUUGCGCCCGAAGCCAUUAGGCCGAGGGCACGGCUGCCUGGGCGUCACGC 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 155 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: 780 n_atoms_counter: 780 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 155.000000 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/seq_2-869b13ce/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq_2-869b13ce/inputs/seq.fa: 1 curr_seq: _CUUGGCAACGGAUAUCUCGGCUCUCGCAUCGAUGAAGAACGUAGCGAAAUGCGAUACUUGGUGUGAAUUGCAGAAUCCCGUGAACCAUCGAGUCUUUGACCGCAAGUUGCGCCCGAAGCCAUUAGGCCGAGGGCACGGCUGCCUGGGCGUCACGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUUGGCAACGGAUAUCUCGGCUCUCGCAUCGAUGAAGAACGUAGCGAAAUGCGAUACUUGGUGUGAAUUGCAGAAUCCCGUGAACCAUCGAGUCUUUGACCGCAAGUUGCGCCCGAAGCCAUUAGGCCGAGGGCACGGCUGCCUGGGCGUCACGC 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 155 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: 780 n_atoms_counter: 780 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 155.000000 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/seq_2-869b13ce/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq_2-869b13ce/inputs/seq.fa: 1 curr_seq: _CUUGGCAACGGAUAUCUCGGCUCUCGCAUCGAUGAAGAACGUAGCGAAAUGCGAUACUUGGUGUGAAUUGCAGAAUCCCGUGAACCAUCGAGUCUUUGACCGCAAGUUGCGCCCGAAGCCAUUAGGCCGAGGGCACGGCUGCCUGGGCGUCACGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUUGGCAACGGAUAUCUCGGCUCUCGCAUCGAUGAAGAACGUAGCGAAAUGCGAUACUUGGUGUGAAUUGCAGAAUCCCGUGAACCAUCGAGUCUUUGACCGCAAGUUGCGCCCGAAGCCAUUAGGCCGAGGGCACGGCUGCCUGGGCGUCACGC 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 155 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: 780 n_atoms_counter: 780 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 155.000000 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/seq_2-869b13ce/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq_2-869b13ce/inputs/seq.fa: 1 curr_seq: _CUUGGCAACGGAUAUCUCGGCUCUCGCAUCGAUGAAGAACGUAGCGAAAUGCGAUACUUGGUGUGAAUUGCAGAAUCCCGUGAACCAUCGAGUCUUUGACCGCAAGUUGCGCCCGAAGCCAUUAGGCCGAGGGCACGGCUGCCUGGGCGUCACGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUUGGCAACGGAUAUCUCGGCUCUCGCAUCGAUGAAGAACGUAGCGAAAUGCGAUACUUGGUGUGAAUUGCAGAAUCCCGUGAACCAUCGAGUCUUUGACCGCAAGUUGCGCCCGAAGCCAUUAGGCCGAGGGCACGGCUGCCUGGGCGUCACGC 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 155 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: 780 n_atoms_counter: 780 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 155.000000 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/seq_2-869b13ce/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/seq_2-869b13ce/inputs/seq.fa: 1 curr_seq: _CUUGGCAACGGAUAUCUCGGCUCUCGCAUCGAUGAAGAACGUAGCGAAAUGCGAUACUUGGUGUGAAUUGCAGAAUCCCGUGAACCAUCGAGUCUUUGACCGCAAGUUGCGCCCGAAGCCAUUAGGCCGAGGGCACGGCUGCCUGGGCGUCACGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUUGGCAACGGAUAUCUCGGCUCUCGCAUCGAUGAAGAACGUAGCGAAAUGCGAUACUUGGUGUGAAUUGCAGAAUCCCGUGAACCAUCGAGUCUUUGACCGCAAGUUGCGCCCGAAGCCAUUAGGCCGAGGGCACGGCUGCCUGGGCGUCACGC 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 155 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: 780 n_atoms_counter: 780 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 155.000000 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: -628.129485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.129485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.129485 (E_RNA) where: Base-Base interactions energy: -24.732 where: short stacking energy: -24.732 Base-Backbone interact. energy: -0.000 local terms energy: -603.397192 where: bonds (distance) C4'-P energy: -150.595 bonds (distance) P-C4' energy: -139.566 flat angles C4'-P-C4' energy: -113.805 flat angles P-C4'-P energy: -130.181 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: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -628.129485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.129485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.129485 (E_RNA) where: Base-Base interactions energy: -24.732 where: short stacking energy: -24.732 Base-Backbone interact. energy: -0.000 local terms energy: -603.397192 where: bonds (distance) C4'-P energy: -150.595 bonds (distance) P-C4' energy: -139.566 flat angles C4'-P-C4' energy: -113.805 flat angles P-C4'-P energy: -130.181 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: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -628.129485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.129485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.129485 (E_RNA) where: Base-Base interactions energy: -24.732 where: short stacking energy: -24.732 Base-Backbone interact. energy: -0.000 local terms energy: -603.397192 where: bonds (distance) C4'-P energy: -150.595 bonds (distance) P-C4' energy: -139.566 flat angles C4'-P-C4' energy: -113.805 flat angles P-C4'-P energy: -130.181 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: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -628.129485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.129485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.129485 (E_RNA) where: Base-Base interactions energy: -24.732 where: short stacking energy: -24.732 Base-Backbone interact. energy: -0.000 local terms energy: -603.397192 where: bonds (distance) C4'-P energy: -150.595 bonds (distance) P-C4' energy: -139.566 flat angles C4'-P-C4' energy: -113.805 flat angles P-C4'-P energy: -130.181 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: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -628.129485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.129485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.129485 (E_RNA) where: Base-Base interactions energy: -24.732 where: short stacking energy: -24.732 Base-Backbone interact. energy: -0.000 local terms energy: -603.397192 where: bonds (distance) C4'-P energy: -150.595 bonds (distance) P-C4' energy: -139.566 flat angles C4'-P-C4' energy: -113.805 flat angles P-C4'-P energy: -130.181 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: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -628.129485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.129485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.129485 (E_RNA) where: Base-Base interactions energy: -24.732 where: short stacking energy: -24.732 Base-Backbone interact. energy: -0.000 local terms energy: -603.397192 where: bonds (distance) C4'-P energy: -150.595 bonds (distance) P-C4' energy: -139.566 flat angles C4'-P-C4' energy: -113.805 flat angles P-C4'-P energy: -130.181 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: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -628.129485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.129485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.129485 (E_RNA) where: Base-Base interactions energy: -24.732 where: short stacking energy: -24.732 Base-Backbone interact. energy: -0.000 local terms energy: -603.397192 where: bonds (distance) C4'-P energy: -150.595 bonds (distance) P-C4' energy: -139.566 flat angles C4'-P-C4' energy: -113.805 flat angles P-C4'-P energy: -130.181 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: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -628.129485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.129485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.129485 (E_RNA) where: Base-Base interactions energy: -24.732 where: short stacking energy: -24.732 Base-Backbone interact. energy: -0.000 local terms energy: -603.397192 where: bonds (distance) C4'-P energy: -150.595 bonds (distance) P-C4' energy: -139.566 flat angles C4'-P-C4' energy: -113.805 flat angles P-C4'-P energy: -130.181 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: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -628.129485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.129485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.129485 (E_RNA) where: Base-Base interactions energy: -24.732 where: short stacking energy: -24.732 Base-Backbone interact. energy: -0.000 local terms energy: -603.397192 where: bonds (distance) C4'-P energy: -150.595 bonds (distance) P-C4' energy: -139.566 flat angles C4'-P-C4' energy: -113.805 flat angles P-C4'-P energy: -130.181 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: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -628.129485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.129485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.129485 (E_RNA) where: Base-Base interactions energy: -24.732 where: short stacking energy: -24.732 Base-Backbone interact. energy: -0.000 local terms energy: -603.397192 where: bonds (distance) C4'-P energy: -150.595 bonds (distance) P-C4' energy: -139.566 flat angles C4'-P-C4' energy: -113.805 flat angles P-C4'-P energy: -130.181 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: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -860.675251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.675251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.675251 (E_RNA) where: Base-Base interactions energy: -379.249 where: short stacking energy: -371.691 Base-Backbone interact. energy: -0.029 local terms energy: -481.396962 where: bonds (distance) C4'-P energy: -93.748 bonds (distance) P-C4' energy: -102.692 flat angles C4'-P-C4' energy: -110.975 flat angles P-C4'-P energy: -67.534 tors. eta vs tors. theta energy: -106.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -749.264032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.264032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.264032 (E_RNA) where: Base-Base interactions energy: -311.082 where: short stacking energy: -308.971 Base-Backbone interact. energy: 2.024 local terms energy: -440.206171 where: bonds (distance) C4'-P energy: -101.965 bonds (distance) P-C4' energy: -98.631 flat angles C4'-P-C4' energy: -107.760 flat angles P-C4'-P energy: -54.312 tors. eta vs tors. theta energy: -77.537 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: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -729.173609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.173609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.173609 (E_RNA) where: Base-Base interactions energy: -325.258 where: short stacking energy: -281.997 Base-Backbone interact. energy: -0.589 local terms energy: -403.326903 where: bonds (distance) C4'-P energy: -88.266 bonds (distance) P-C4' energy: -93.439 flat angles C4'-P-C4' energy: -98.130 flat angles P-C4'-P energy: -51.829 tors. eta vs tors. theta energy: -71.663 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: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -652.751082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.751082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.751082 (E_RNA) where: Base-Base interactions energy: -259.580 where: short stacking energy: -259.253 Base-Backbone interact. energy: -0.013 local terms energy: -393.157445 where: bonds (distance) C4'-P energy: -89.266 bonds (distance) P-C4' energy: -85.587 flat angles C4'-P-C4' energy: -89.973 flat angles P-C4'-P energy: -56.240 tors. eta vs tors. theta energy: -72.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -640.177317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.177317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.177317 (E_RNA) where: Base-Base interactions energy: -241.564 where: short stacking energy: -238.538 Base-Backbone interact. energy: -0.099 local terms energy: -398.514442 where: bonds (distance) C4'-P energy: -94.259 bonds (distance) P-C4' energy: -106.702 flat angles C4'-P-C4' energy: -78.778 flat angles P-C4'-P energy: -61.292 tors. eta vs tors. theta energy: -57.483 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: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -638.011464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.011464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.011464 (E_RNA) where: Base-Base interactions energy: -45.980 where: short stacking energy: -45.980 Base-Backbone interact. energy: -0.000 local terms energy: -592.031641 where: bonds (distance) C4'-P energy: -146.666 bonds (distance) P-C4' energy: -132.519 flat angles C4'-P-C4' energy: -113.590 flat angles P-C4'-P energy: -128.896 tors. eta vs tors. theta energy: -70.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -628.280924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.280924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.280924 (E_RNA) where: Base-Base interactions energy: -36.484 where: short stacking energy: -36.484 Base-Backbone interact. energy: -0.000 local terms energy: -591.796590 where: bonds (distance) C4'-P energy: -148.450 bonds (distance) P-C4' energy: -131.839 flat angles C4'-P-C4' energy: -112.574 flat angles P-C4'-P energy: -128.929 tors. eta vs tors. theta energy: -70.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -628.273244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.273244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.273244 (E_RNA) where: Base-Base interactions energy: -36.898 where: short stacking energy: -36.898 Base-Backbone interact. energy: -0.000 local terms energy: -591.375031 where: bonds (distance) C4'-P energy: -148.450 bonds (distance) P-C4' energy: -131.839 flat angles C4'-P-C4' energy: -112.431 flat angles P-C4'-P energy: -128.794 tors. eta vs tors. theta energy: -69.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -631.629664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.629664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.629664 (E_RNA) where: Base-Base interactions energy: -43.409 where: short stacking energy: -43.409 Base-Backbone interact. energy: -0.000 local terms energy: -588.220525 where: bonds (distance) C4'-P energy: -147.184 bonds (distance) P-C4' energy: -129.842 flat angles C4'-P-C4' energy: -113.085 flat angles P-C4'-P energy: -128.436 tors. eta vs tors. theta energy: -69.673 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: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -630.568993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.568993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.568993 (E_RNA) where: Base-Base interactions energy: -42.832 where: short stacking energy: -42.832 Base-Backbone interact. energy: -0.000 local terms energy: -587.736613 where: bonds (distance) C4'-P energy: -144.820 bonds (distance) P-C4' energy: -130.765 flat angles C4'-P-C4' energy: -114.036 flat angles P-C4'-P energy: -128.196 tors. eta vs tors. theta energy: -69.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -835.960931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.960931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.960931 (E_RNA) where: Base-Base interactions energy: -393.750 where: short stacking energy: -385.715 Base-Backbone interact. energy: -0.370 local terms energy: -441.841220 where: bonds (distance) C4'-P energy: -83.469 bonds (distance) P-C4' energy: -106.342 flat angles C4'-P-C4' energy: -100.886 flat angles P-C4'-P energy: -65.125 tors. eta vs tors. theta energy: -86.018 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: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -740.379580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.379580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.379580 (E_RNA) where: Base-Base interactions energy: -321.690 where: short stacking energy: -298.471 Base-Backbone interact. energy: -0.094 local terms energy: -418.595060 where: bonds (distance) C4'-P energy: -95.986 bonds (distance) P-C4' energy: -96.997 flat angles C4'-P-C4' energy: -102.216 flat angles P-C4'-P energy: -67.921 tors. eta vs tors. theta energy: -55.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -800.819827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.819827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.819827 (E_RNA) where: Base-Base interactions energy: -387.759 where: short stacking energy: -257.436 Base-Backbone interact. energy: -1.171 local terms energy: -411.889008 where: bonds (distance) C4'-P energy: -102.256 bonds (distance) P-C4' energy: -101.323 flat angles C4'-P-C4' energy: -95.440 flat angles P-C4'-P energy: -60.369 tors. eta vs tors. theta energy: -52.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -655.453818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.453818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.453818 (E_RNA) where: Base-Base interactions energy: -291.085 where: short stacking energy: -256.283 Base-Backbone interact. energy: 2.417 local terms energy: -366.785427 where: bonds (distance) C4'-P energy: -87.369 bonds (distance) P-C4' energy: -92.105 flat angles C4'-P-C4' energy: -82.050 flat angles P-C4'-P energy: -53.148 tors. eta vs tors. theta energy: -52.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -639.297311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.297311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.297311 (E_RNA) where: Base-Base interactions energy: -288.743 where: short stacking energy: -227.898 Base-Backbone interact. energy: 3.267 local terms energy: -353.821518 where: bonds (distance) C4'-P energy: -73.287 bonds (distance) P-C4' energy: -95.274 flat angles C4'-P-C4' energy: -85.810 flat angles P-C4'-P energy: -61.351 tors. eta vs tors. theta energy: -38.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -587.847136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.847136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.847136 (E_RNA) where: Base-Base interactions energy: -226.715 where: short stacking energy: -219.108 Base-Backbone interact. energy: -0.467 local terms energy: -360.665621 where: bonds (distance) C4'-P energy: -88.686 bonds (distance) P-C4' energy: -89.851 flat angles C4'-P-C4' energy: -88.403 flat angles P-C4'-P energy: -55.131 tors. eta vs tors. theta energy: -38.594 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: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -509.691446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.691446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.691446 (E_RNA) where: Base-Base interactions energy: -219.495 where: short stacking energy: -181.070 Base-Backbone interact. energy: 2.096 local terms energy: -292.291976 where: bonds (distance) C4'-P energy: -79.680 bonds (distance) P-C4' energy: -73.743 flat angles C4'-P-C4' energy: -76.741 flat angles P-C4'-P energy: -45.523 tors. eta vs tors. theta energy: -16.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -475.591590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.591590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.591590 (E_RNA) where: Base-Base interactions energy: -203.404 where: short stacking energy: -179.998 Base-Backbone interact. energy: 0.156 local terms energy: -272.343510 where: bonds (distance) C4'-P energy: -83.235 bonds (distance) P-C4' energy: -82.796 flat angles C4'-P-C4' energy: -71.370 flat angles P-C4'-P energy: -29.025 tors. eta vs tors. theta energy: -5.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -450.117485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.117485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.117485 (E_RNA) where: Base-Base interactions energy: -156.066 where: short stacking energy: -150.314 Base-Backbone interact. energy: 3.463 local terms energy: -297.514553 where: bonds (distance) C4'-P energy: -68.111 bonds (distance) P-C4' energy: -81.686 flat angles C4'-P-C4' energy: -86.686 flat angles P-C4'-P energy: -44.362 tors. eta vs tors. theta energy: -16.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -395.480619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.480619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.480619 (E_RNA) where: Base-Base interactions energy: -128.732 where: short stacking energy: -98.353 Base-Backbone interact. energy: -2.235 local terms energy: -264.513449 where: bonds (distance) C4'-P energy: -74.371 bonds (distance) P-C4' energy: -88.090 flat angles C4'-P-C4' energy: -71.675 flat angles P-C4'-P energy: -35.695 tors. eta vs tors. theta energy: 5.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -874.907833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.907833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.907833 (E_RNA) where: Base-Base interactions energy: -406.626 where: short stacking energy: -338.210 Base-Backbone interact. energy: -0.773 local terms energy: -467.508671 where: bonds (distance) C4'-P energy: -102.647 bonds (distance) P-C4' energy: -109.812 flat angles C4'-P-C4' energy: -95.657 flat angles P-C4'-P energy: -67.412 tors. eta vs tors. theta energy: -91.982 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: 4 Temperature: 0.950000 Total energy: -805.593741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.593741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.593741 (E_RNA) where: Base-Base interactions energy: -391.083 where: short stacking energy: -318.900 Base-Backbone interact. energy: 2.167 local terms energy: -416.676815 where: bonds (distance) C4'-P energy: -92.064 bonds (distance) P-C4' energy: -90.156 flat angles C4'-P-C4' energy: -98.968 flat angles P-C4'-P energy: -58.842 tors. eta vs tors. theta energy: -76.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -847.706256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.706256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.706256 (E_RNA) where: Base-Base interactions energy: -461.017 where: short stacking energy: -302.971 Base-Backbone interact. energy: -0.797 local terms energy: -385.892589 where: bonds (distance) C4'-P energy: -75.778 bonds (distance) P-C4' energy: -95.452 flat angles C4'-P-C4' energy: -92.729 flat angles P-C4'-P energy: -57.151 tors. eta vs tors. theta energy: -64.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -721.418618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.418618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.418618 (E_RNA) where: Base-Base interactions energy: -338.171 where: short stacking energy: -265.574 Base-Backbone interact. energy: -0.027 local terms energy: -383.221122 where: bonds (distance) C4'-P energy: -89.032 bonds (distance) P-C4' energy: -101.754 flat angles C4'-P-C4' energy: -74.252 flat angles P-C4'-P energy: -59.536 tors. eta vs tors. theta energy: -58.647 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: 4 Temperature: 1.100000 Total energy: -747.660271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.660271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.660271 (E_RNA) where: Base-Base interactions energy: -367.750 where: short stacking energy: -257.279 Base-Backbone interact. energy: -1.806 local terms energy: -378.104477 where: bonds (distance) C4'-P energy: -94.772 bonds (distance) P-C4' energy: -95.481 flat angles C4'-P-C4' energy: -90.388 flat angles P-C4'-P energy: -48.694 tors. eta vs tors. theta energy: -48.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -551.653681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.653681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.653681 (E_RNA) where: Base-Base interactions energy: -236.551 where: short stacking energy: -182.067 Base-Backbone interact. energy: 0.148 local terms energy: -315.250739 where: bonds (distance) C4'-P energy: -77.163 bonds (distance) P-C4' energy: -88.841 flat angles C4'-P-C4' energy: -88.743 flat angles P-C4'-P energy: -47.926 tors. eta vs tors. theta energy: -12.577 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: 7 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -688.829356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.829356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.829356 (E_RNA) where: Base-Base interactions energy: -364.628 where: short stacking energy: -204.545 Base-Backbone interact. energy: 3.429 local terms energy: -327.630718 where: bonds (distance) C4'-P energy: -85.141 bonds (distance) P-C4' energy: -80.769 flat angles C4'-P-C4' energy: -80.699 flat angles P-C4'-P energy: -44.274 tors. eta vs tors. theta energy: -36.748 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: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -469.092651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.092651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.092651 (E_RNA) where: Base-Base interactions energy: -180.993 where: short stacking energy: -155.023 Base-Backbone interact. energy: 0.892 local terms energy: -288.991455 where: bonds (distance) C4'-P energy: -68.048 bonds (distance) P-C4' energy: -91.991 flat angles C4'-P-C4' energy: -73.509 flat angles P-C4'-P energy: -45.143 tors. eta vs tors. theta energy: -10.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -425.335291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.335291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.335291 (E_RNA) where: Base-Base interactions energy: -158.571 where: short stacking energy: -123.418 Base-Backbone interact. energy: 0.506 local terms energy: -267.269909 where: bonds (distance) C4'-P energy: -73.755 bonds (distance) P-C4' energy: -87.958 flat angles C4'-P-C4' energy: -72.871 flat angles P-C4'-P energy: -48.841 tors. eta vs tors. theta energy: 16.155 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: 9 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -412.770673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.770673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.770673 (E_RNA) where: Base-Base interactions energy: -166.529 where: short stacking energy: -122.941 Base-Backbone interact. energy: 2.287 local terms energy: -248.528688 where: bonds (distance) C4'-P energy: -73.438 bonds (distance) P-C4' energy: -88.016 flat angles C4'-P-C4' energy: -53.183 flat angles P-C4'-P energy: -37.087 tors. eta vs tors. theta energy: 3.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -946.587021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.587021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.587021 (E_RNA) where: Base-Base interactions energy: -484.611 where: short stacking energy: -349.106 Base-Backbone interact. energy: -1.140 local terms energy: -460.836204 where: bonds (distance) C4'-P energy: -94.334 bonds (distance) P-C4' energy: -102.482 flat angles C4'-P-C4' energy: -104.394 flat angles P-C4'-P energy: -71.221 tors. eta vs tors. theta energy: -88.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1014.886474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.886474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.886474 (E_RNA) where: Base-Base interactions energy: -595.313 where: short stacking energy: -358.153 Base-Backbone interact. energy: -2.052 local terms energy: -417.522158 where: bonds (distance) C4'-P energy: -83.298 bonds (distance) P-C4' energy: -90.677 flat angles C4'-P-C4' energy: -96.166 flat angles P-C4'-P energy: -63.137 tors. eta vs tors. theta energy: -84.244 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: 2 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -813.450951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.450951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.450951 (E_RNA) where: Base-Base interactions energy: -416.449 where: short stacking energy: -294.515 Base-Backbone interact. energy: -1.266 local terms energy: -395.736473 where: bonds (distance) C4'-P energy: -90.895 bonds (distance) P-C4' energy: -92.759 flat angles C4'-P-C4' energy: -87.812 flat angles P-C4'-P energy: -58.337 tors. eta vs tors. theta energy: -65.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -720.300865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.300865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.300865 (E_RNA) where: Base-Base interactions energy: -330.711 where: short stacking energy: -268.117 Base-Backbone interact. energy: -2.106 local terms energy: -387.483739 where: bonds (distance) C4'-P energy: -77.662 bonds (distance) P-C4' energy: -93.381 flat angles C4'-P-C4' energy: -86.075 flat angles P-C4'-P energy: -57.727 tors. eta vs tors. theta energy: -72.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -737.801232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.801232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.801232 (E_RNA) where: Base-Base interactions energy: -364.426 where: short stacking energy: -275.278 Base-Backbone interact. energy: 0.426 local terms energy: -373.801938 where: bonds (distance) C4'-P energy: -78.498 bonds (distance) P-C4' energy: -84.678 flat angles C4'-P-C4' energy: -89.616 flat angles P-C4'-P energy: -65.454 tors. eta vs tors. theta energy: -55.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -724.139805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.139805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.139805 (E_RNA) where: Base-Base interactions energy: -384.277 where: short stacking energy: -224.703 Base-Backbone interact. energy: 0.068 local terms energy: -339.930832 where: bonds (distance) C4'-P energy: -80.873 bonds (distance) P-C4' energy: -92.860 flat angles C4'-P-C4' energy: -74.237 flat angles P-C4'-P energy: -60.045 tors. eta vs tors. theta energy: -31.916 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: 6 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -559.686340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.686340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.686340 (E_RNA) where: Base-Base interactions energy: -225.653 where: short stacking energy: -189.544 Base-Backbone interact. energy: -0.565 local terms energy: -333.467878 where: bonds (distance) C4'-P energy: -79.219 bonds (distance) P-C4' energy: -98.996 flat angles C4'-P-C4' energy: -90.989 flat angles P-C4'-P energy: -48.228 tors. eta vs tors. theta energy: -16.035 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: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -503.237023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.237023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.237023 (E_RNA) where: Base-Base interactions energy: -214.207 where: short stacking energy: -149.394 Base-Backbone interact. energy: -0.810 local terms energy: -288.219887 where: bonds (distance) C4'-P energy: -78.881 bonds (distance) P-C4' energy: -89.852 flat angles C4'-P-C4' energy: -68.823 flat angles P-C4'-P energy: -50.824 tors. eta vs tors. theta energy: 0.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -472.209672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.209672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.209672 (E_RNA) where: Base-Base interactions energy: -200.599 where: short stacking energy: -169.318 Base-Backbone interact. energy: -0.477 local terms energy: -271.133564 where: bonds (distance) C4'-P energy: -61.250 bonds (distance) P-C4' energy: -91.166 flat angles C4'-P-C4' energy: -72.087 flat angles P-C4'-P energy: -43.156 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: 9 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -398.823750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.823750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.823750 (E_RNA) where: Base-Base interactions energy: -140.514 where: short stacking energy: -132.898 Base-Backbone interact. energy: 3.325 local terms energy: -261.634682 where: bonds (distance) C4'-P energy: -66.663 bonds (distance) P-C4' energy: -81.635 flat angles C4'-P-C4' energy: -64.510 flat angles P-C4'-P energy: -51.901 tors. eta vs tors. theta energy: 3.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1161.360844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.360844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.360844 (E_RNA) where: Base-Base interactions energy: -712.917 where: short stacking energy: -376.441 Base-Backbone interact. energy: -1.814 local terms energy: -446.629452 where: bonds (distance) C4'-P energy: -103.252 bonds (distance) P-C4' energy: -99.796 flat angles C4'-P-C4' energy: -96.560 flat angles P-C4'-P energy: -67.877 tors. eta vs tors. theta energy: -79.145 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: 1 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -928.197311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.197311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.197311 (E_RNA) where: Base-Base interactions energy: -481.322 where: short stacking energy: -360.071 Base-Backbone interact. energy: 3.838 local terms energy: -450.713179 where: bonds (distance) C4'-P energy: -92.899 bonds (distance) P-C4' energy: -101.850 flat angles C4'-P-C4' energy: -111.181 flat angles P-C4'-P energy: -59.319 tors. eta vs tors. theta energy: -85.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -868.237252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.237252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.237252 (E_RNA) where: Base-Base interactions energy: -455.226 where: short stacking energy: -293.195 Base-Backbone interact. energy: -1.527 local terms energy: -411.484168 where: bonds (distance) C4'-P energy: -94.209 bonds (distance) P-C4' energy: -94.565 flat angles C4'-P-C4' energy: -88.580 flat angles P-C4'-P energy: -68.618 tors. eta vs tors. theta energy: -65.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -791.243840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.243840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.243840 (E_RNA) where: Base-Base interactions energy: -419.177 where: short stacking energy: -259.101 Base-Backbone interact. energy: -1.587 local terms energy: -370.479953 where: bonds (distance) C4'-P energy: -85.538 bonds (distance) P-C4' energy: -86.268 flat angles C4'-P-C4' energy: -77.556 flat angles P-C4'-P energy: -66.787 tors. eta vs tors. theta energy: -54.331 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: 5, replica: 7 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -935.874964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.874964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.874964 (E_RNA) where: Base-Base interactions energy: -552.813 where: short stacking energy: -298.902 Base-Backbone interact. energy: -1.721 local terms energy: -381.341230 where: bonds (distance) C4'-P energy: -81.173 bonds (distance) P-C4' energy: -85.831 flat angles C4'-P-C4' energy: -96.119 flat angles P-C4'-P energy: -46.870 tors. eta vs tors. theta energy: -71.349 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: 6, replica: 5 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -736.426693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.426693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.426693 (E_RNA) where: Base-Base interactions energy: -398.623 where: short stacking energy: -216.332 Base-Backbone interact. energy: -1.002 local terms energy: -336.801539 where: bonds (distance) C4'-P energy: -91.050 bonds (distance) P-C4' energy: -82.018 flat angles C4'-P-C4' energy: -75.362 flat angles P-C4'-P energy: -58.902 tors. eta vs tors. theta energy: -29.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -530.595338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.595338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.595338 (E_RNA) where: Base-Base interactions energy: -228.654 where: short stacking energy: -185.367 Base-Backbone interact. energy: 0.702 local terms energy: -302.643130 where: bonds (distance) C4'-P energy: -69.863 bonds (distance) P-C4' energy: -84.398 flat angles C4'-P-C4' energy: -84.623 flat angles P-C4'-P energy: -50.624 tors. eta vs tors. theta energy: -13.136 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: 8, replica: 8 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -519.060196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.060196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.060196 (E_RNA) where: Base-Base interactions energy: -234.698 where: short stacking energy: -172.797 Base-Backbone interact. energy: -1.560 local terms energy: -282.801871 where: bonds (distance) C4'-P energy: -69.811 bonds (distance) P-C4' energy: -86.506 flat angles C4'-P-C4' energy: -71.038 flat angles P-C4'-P energy: -38.774 tors. eta vs tors. theta energy: -16.674 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: 10 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -452.835707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.835707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.835707 (E_RNA) where: Base-Base interactions energy: -196.853 where: short stacking energy: -153.226 Base-Backbone interact. energy: -0.072 local terms energy: -255.911249 where: bonds (distance) C4'-P energy: -68.078 bonds (distance) P-C4' energy: -92.152 flat angles C4'-P-C4' energy: -63.984 flat angles P-C4'-P energy: -38.855 tors. eta vs tors. theta energy: 7.157 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: 9 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -414.120671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.120671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.120671 (E_RNA) where: Base-Base interactions energy: -169.066 where: short stacking energy: -97.905 Base-Backbone interact. energy: -0.159 local terms energy: -244.895024 where: bonds (distance) C4'-P energy: -80.542 bonds (distance) P-C4' energy: -68.102 flat angles C4'-P-C4' energy: -57.638 flat angles P-C4'-P energy: -46.536 tors. eta vs tors. theta energy: 7.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1165.718103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.718103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.718103 (E_RNA) where: Base-Base interactions energy: -703.415 where: short stacking energy: -385.177 Base-Backbone interact. energy: -1.878 local terms energy: -460.424243 where: bonds (distance) C4'-P energy: -94.724 bonds (distance) P-C4' energy: -97.666 flat angles C4'-P-C4' energy: -101.180 flat angles P-C4'-P energy: -73.654 tors. eta vs tors. theta energy: -93.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -965.052371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.052371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.052371 (E_RNA) where: Base-Base interactions energy: -511.216 where: short stacking energy: -314.272 Base-Backbone interact. energy: -0.976 local terms energy: -452.860426 where: bonds (distance) C4'-P energy: -108.856 bonds (distance) P-C4' energy: -93.498 flat angles C4'-P-C4' energy: -111.801 flat angles P-C4'-P energy: -72.151 tors. eta vs tors. theta energy: -66.554 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: 1 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -828.159803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.159803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.159803 (E_RNA) where: Base-Base interactions energy: -415.540 where: short stacking energy: -276.712 Base-Backbone interact. energy: -1.007 local terms energy: -411.612421 where: bonds (distance) C4'-P energy: -79.106 bonds (distance) P-C4' energy: -97.765 flat angles C4'-P-C4' energy: -101.916 flat angles P-C4'-P energy: -62.674 tors. eta vs tors. theta energy: -70.152 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: 7 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1034.624117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.624117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.624117 (E_RNA) where: Base-Base interactions energy: -645.481 where: short stacking energy: -314.784 Base-Backbone interact. energy: -0.732 local terms energy: -388.411261 where: bonds (distance) C4'-P energy: -90.012 bonds (distance) P-C4' energy: -86.703 flat angles C4'-P-C4' energy: -97.761 flat angles P-C4'-P energy: -44.485 tors. eta vs tors. theta energy: -69.450 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: 4 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -772.616187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.616187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.616187 (E_RNA) where: Base-Base interactions energy: -401.059 where: short stacking energy: -262.415 Base-Backbone interact. energy: 0.524 local terms energy: -372.080930 where: bonds (distance) C4'-P energy: -90.381 bonds (distance) P-C4' energy: -100.052 flat angles C4'-P-C4' energy: -80.351 flat angles P-C4'-P energy: -55.882 tors. eta vs tors. theta energy: -45.416 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: 5 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -774.980511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.980511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.980511 (E_RNA) where: Base-Base interactions energy: -409.229 where: short stacking energy: -243.660 Base-Backbone interact. energy: 0.431 local terms energy: -366.182780 where: bonds (distance) C4'-P energy: -93.175 bonds (distance) P-C4' energy: -94.180 flat angles C4'-P-C4' energy: -78.056 flat angles P-C4'-P energy: -57.105 tors. eta vs tors. theta energy: -43.667 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: 6 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -550.616416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.616416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.616416 (E_RNA) where: Base-Base interactions energy: -264.016 where: short stacking energy: -185.185 Base-Backbone interact. energy: 5.183 local terms energy: -291.783806 where: bonds (distance) C4'-P energy: -88.502 bonds (distance) P-C4' energy: -86.547 flat angles C4'-P-C4' energy: -70.863 flat angles P-C4'-P energy: -41.199 tors. eta vs tors. theta energy: -4.672 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: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -554.763874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.763874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.763874 (E_RNA) where: Base-Base interactions energy: -267.315 where: short stacking energy: -174.938 Base-Backbone interact. energy: -0.018 local terms energy: -287.431005 where: bonds (distance) C4'-P energy: -63.371 bonds (distance) P-C4' energy: -89.964 flat angles C4'-P-C4' energy: -86.386 flat angles P-C4'-P energy: -41.091 tors. eta vs tors. theta energy: -6.621 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: 10 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -443.730054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.730054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.730054 (E_RNA) where: Base-Base interactions energy: -187.999 where: short stacking energy: -169.194 Base-Backbone interact. energy: 3.035 local terms energy: -258.766177 where: bonds (distance) C4'-P energy: -82.487 bonds (distance) P-C4' energy: -73.295 flat angles C4'-P-C4' energy: -73.384 flat angles P-C4'-P energy: -33.388 tors. eta vs tors. theta energy: 3.788 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: 9 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -394.075065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.075065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.075065 (E_RNA) where: Base-Base interactions energy: -114.563 where: short stacking energy: -105.759 Base-Backbone interact. energy: -4.234 local terms energy: -275.278336 where: bonds (distance) C4'-P energy: -75.496 bonds (distance) P-C4' energy: -90.657 flat angles C4'-P-C4' energy: -74.189 flat angles P-C4'-P energy: -48.590 tors. eta vs tors. theta energy: 13.654 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: 1, replica: 3 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1225.465960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.465960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.465960 (E_RNA) where: Base-Base interactions energy: -757.448 where: short stacking energy: -370.774 Base-Backbone interact. energy: -0.773 local terms energy: -467.244774 where: bonds (distance) C4'-P energy: -104.216 bonds (distance) P-C4' energy: -96.656 flat angles C4'-P-C4' energy: -104.193 flat angles P-C4'-P energy: -65.371 tors. eta vs tors. theta energy: -96.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -952.051571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.051571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.051571 (E_RNA) where: Base-Base interactions energy: -550.574 where: short stacking energy: -320.638 Base-Backbone interact. energy: -0.088 local terms energy: -401.389572 where: bonds (distance) C4'-P energy: -98.383 bonds (distance) P-C4' energy: -91.703 flat angles C4'-P-C4' energy: -91.172 flat angles P-C4'-P energy: -54.017 tors. eta vs tors. theta energy: -66.114 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: 8 Temperature: 1.000000 Total energy: -1137.723285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.723285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.723285 (E_RNA) where: Base-Base interactions energy: -709.144 where: short stacking energy: -362.010 Base-Backbone interact. energy: -1.918 local terms energy: -426.660991 where: bonds (distance) C4'-P energy: -82.808 bonds (distance) P-C4' energy: -99.013 flat angles C4'-P-C4' energy: -109.112 flat angles P-C4'-P energy: -42.614 tors. eta vs tors. theta energy: -93.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -816.776364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.776364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.776364 (E_RNA) where: Base-Base interactions energy: -410.056 where: short stacking energy: -262.640 Base-Backbone interact. energy: -0.107 local terms energy: -406.612974 where: bonds (distance) C4'-P energy: -88.829 bonds (distance) P-C4' energy: -96.964 flat angles C4'-P-C4' energy: -103.471 flat angles P-C4'-P energy: -51.188 tors. eta vs tors. theta energy: -66.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -773.512016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.512016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.512016 (E_RNA) where: Base-Base interactions energy: -408.882 where: short stacking energy: -229.669 Base-Backbone interact. energy: -1.503 local terms energy: -363.126802 where: bonds (distance) C4'-P energy: -88.182 bonds (distance) P-C4' energy: -91.467 flat angles C4'-P-C4' energy: -85.051 flat angles P-C4'-P energy: -54.282 tors. eta vs tors. theta energy: -44.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -731.868723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.868723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.868723 (E_RNA) where: Base-Base interactions energy: -362.944 where: short stacking energy: -220.035 Base-Backbone interact. energy: -0.159 local terms energy: -368.766337 where: bonds (distance) C4'-P energy: -89.864 bonds (distance) P-C4' energy: -98.409 flat angles C4'-P-C4' energy: -88.763 flat angles P-C4'-P energy: -52.332 tors. eta vs tors. theta energy: -39.398 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: 7, replica: 8 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -624.061494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.061494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.061494 (E_RNA) where: Base-Base interactions energy: -314.582 where: short stacking energy: -214.537 Base-Backbone interact. energy: 0.066 local terms energy: -309.545127 where: bonds (distance) C4'-P energy: -93.818 bonds (distance) P-C4' energy: -87.215 flat angles C4'-P-C4' energy: -62.568 flat angles P-C4'-P energy: -39.420 tors. eta vs tors. theta energy: -26.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -532.174727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.174727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.174727 (E_RNA) where: Base-Base interactions energy: -272.845 where: short stacking energy: -179.476 Base-Backbone interact. energy: -1.653 local terms energy: -257.677391 where: bonds (distance) C4'-P energy: -59.013 bonds (distance) P-C4' energy: -88.810 flat angles C4'-P-C4' energy: -75.920 flat angles P-C4'-P energy: -37.723 tors. eta vs tors. theta energy: 3.789 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: 10 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -477.213924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.213924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.213924 (E_RNA) where: Base-Base interactions energy: -223.273 where: short stacking energy: -146.155 Base-Backbone interact. energy: 4.702 local terms energy: -258.642880 where: bonds (distance) C4'-P energy: -66.705 bonds (distance) P-C4' energy: -84.522 flat angles C4'-P-C4' energy: -63.599 flat angles P-C4'-P energy: -38.228 tors. eta vs tors. theta energy: -5.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -382.231045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.231045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.231045 (E_RNA) where: Base-Base interactions energy: -140.416 where: short stacking energy: -111.899 Base-Backbone interact. energy: -1.201 local terms energy: -240.614532 where: bonds (distance) C4'-P energy: -56.649 bonds (distance) P-C4' energy: -85.643 flat angles C4'-P-C4' energy: -67.132 flat angles P-C4'-P energy: -41.781 tors. eta vs tors. theta energy: 10.590 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: 1, replica: 3 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1233.457140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.457140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.457140 (E_RNA) where: Base-Base interactions energy: -785.930 where: short stacking energy: -383.751 Base-Backbone interact. energy: -3.179 local terms energy: -444.347988 where: bonds (distance) C4'-P energy: -101.390 bonds (distance) P-C4' energy: -94.407 flat angles C4'-P-C4' energy: -98.653 flat angles P-C4'-P energy: -63.167 tors. eta vs tors. theta energy: -86.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1145.372537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.372537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.372537 (E_RNA) where: Base-Base interactions energy: -724.248 where: short stacking energy: -369.208 Base-Backbone interact. energy: 1.245 local terms energy: -422.369685 where: bonds (distance) C4'-P energy: -91.112 bonds (distance) P-C4' energy: -85.160 flat angles C4'-P-C4' energy: -96.989 flat angles P-C4'-P energy: -55.622 tors. eta vs tors. theta energy: -93.487 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: 2 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -952.214112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.214112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.214112 (E_RNA) where: Base-Base interactions energy: -554.953 where: short stacking energy: -294.249 Base-Backbone interact. energy: 0.712 local terms energy: -397.972711 where: bonds (distance) C4'-P energy: -91.126 bonds (distance) P-C4' energy: -95.389 flat angles C4'-P-C4' energy: -104.994 flat angles P-C4'-P energy: -50.815 tors. eta vs tors. theta energy: -55.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -780.263655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.263655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.263655 (E_RNA) where: Base-Base interactions energy: -386.313 where: short stacking energy: -273.286 Base-Backbone interact. energy: 0.536 local terms energy: -394.487247 where: bonds (distance) C4'-P energy: -100.975 bonds (distance) P-C4' energy: -95.266 flat angles C4'-P-C4' energy: -94.682 flat angles P-C4'-P energy: -46.830 tors. eta vs tors. theta energy: -56.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -783.654528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.654528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.654528 (E_RNA) where: Base-Base interactions energy: -448.749 where: short stacking energy: -224.892 Base-Backbone interact. energy: -0.130 local terms energy: -334.776217 where: bonds (distance) C4'-P energy: -82.636 bonds (distance) P-C4' energy: -90.917 flat angles C4'-P-C4' energy: -74.946 flat angles P-C4'-P energy: -51.665 tors. eta vs tors. theta energy: -34.611 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: 4 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -799.952671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.952671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.952671 (E_RNA) where: Base-Base interactions energy: -449.587 where: short stacking energy: -254.275 Base-Backbone interact. energy: 1.926 local terms energy: -352.292262 where: bonds (distance) C4'-P energy: -78.408 bonds (distance) P-C4' energy: -93.514 flat angles C4'-P-C4' energy: -84.917 flat angles P-C4'-P energy: -45.738 tors. eta vs tors. theta energy: -49.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -667.739077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.739077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.739077 (E_RNA) where: Base-Base interactions energy: -338.095 where: short stacking energy: -193.356 Base-Backbone interact. energy: 1.499 local terms energy: -331.142348 where: bonds (distance) C4'-P energy: -72.229 bonds (distance) P-C4' energy: -89.241 flat angles C4'-P-C4' energy: -91.032 flat angles P-C4'-P energy: -51.523 tors. eta vs tors. theta energy: -27.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -523.495374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.495374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.495374 (E_RNA) where: Base-Base interactions energy: -248.174 where: short stacking energy: -175.235 Base-Backbone interact. energy: 4.812 local terms energy: -280.133882 where: bonds (distance) C4'-P energy: -71.169 bonds (distance) P-C4' energy: -90.448 flat angles C4'-P-C4' energy: -66.635 flat angles P-C4'-P energy: -34.714 tors. eta vs tors. theta energy: -17.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -514.084376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.084376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.084376 (E_RNA) where: Base-Base interactions energy: -233.661 where: short stacking energy: -159.918 Base-Backbone interact. energy: -0.573 local terms energy: -279.850710 where: bonds (distance) C4'-P energy: -83.087 bonds (distance) P-C4' energy: -84.067 flat angles C4'-P-C4' energy: -64.508 flat angles P-C4'-P energy: -49.158 tors. eta vs tors. theta energy: 0.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -409.367757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.367757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.367757 (E_RNA) where: Base-Base interactions energy: -177.962 where: short stacking energy: -139.570 Base-Backbone interact. energy: 1.315 local terms energy: -232.720708 where: bonds (distance) C4'-P energy: -57.944 bonds (distance) P-C4' energy: -89.459 flat angles C4'-P-C4' energy: -66.756 flat angles P-C4'-P energy: -23.694 tors. eta vs tors. theta energy: 5.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1265.726127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.726127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.726127 (E_RNA) where: Base-Base interactions energy: -791.412 where: short stacking energy: -402.785 Base-Backbone interact. energy: -1.776 local terms energy: -472.538086 where: bonds (distance) C4'-P energy: -98.341 bonds (distance) P-C4' energy: -104.300 flat angles C4'-P-C4' energy: -106.151 flat angles P-C4'-P energy: -66.520 tors. eta vs tors. theta energy: -97.226 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: 7 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1172.458632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.458632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.458632 (E_RNA) where: Base-Base interactions energy: -706.610 where: short stacking energy: -343.349 Base-Backbone interact. energy: -3.332 local terms energy: -462.516040 where: bonds (distance) C4'-P energy: -102.290 bonds (distance) P-C4' energy: -97.053 flat angles C4'-P-C4' energy: -103.008 flat angles P-C4'-P energy: -65.747 tors. eta vs tors. theta energy: -94.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -975.367941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.367941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.367941 (E_RNA) where: Base-Base interactions energy: -576.514 where: short stacking energy: -316.297 Base-Backbone interact. energy: -0.560 local terms energy: -398.294203 where: bonds (distance) C4'-P energy: -89.570 bonds (distance) P-C4' energy: -87.896 flat angles C4'-P-C4' energy: -99.149 flat angles P-C4'-P energy: -57.305 tors. eta vs tors. theta energy: -64.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -764.895835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.895835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.895835 (E_RNA) where: Base-Base interactions energy: -397.946 where: short stacking energy: -255.504 Base-Backbone interact. energy: -2.380 local terms energy: -364.570039 where: bonds (distance) C4'-P energy: -70.464 bonds (distance) P-C4' energy: -89.826 flat angles C4'-P-C4' energy: -103.985 flat angles P-C4'-P energy: -60.136 tors. eta vs tors. theta energy: -40.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -880.295536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.295536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.295536 (E_RNA) where: Base-Base interactions energy: -489.793 where: short stacking energy: -276.313 Base-Backbone interact. energy: -2.658 local terms energy: -387.844909 where: bonds (distance) C4'-P energy: -98.748 bonds (distance) P-C4' energy: -100.488 flat angles C4'-P-C4' energy: -76.677 flat angles P-C4'-P energy: -49.262 tors. eta vs tors. theta energy: -62.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -802.924975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.924975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.924975 (E_RNA) where: Base-Base interactions energy: -446.996 where: short stacking energy: -231.132 Base-Backbone interact. energy: -1.301 local terms energy: -354.628110 where: bonds (distance) C4'-P energy: -85.972 bonds (distance) P-C4' energy: -91.200 flat angles C4'-P-C4' energy: -83.170 flat angles P-C4'-P energy: -58.513 tors. eta vs tors. theta energy: -35.773 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: 8 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -625.591277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.591277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.591277 (E_RNA) where: Base-Base interactions energy: -291.749 where: short stacking energy: -201.373 Base-Backbone interact. energy: -2.174 local terms energy: -331.668467 where: bonds (distance) C4'-P energy: -90.548 bonds (distance) P-C4' energy: -80.586 flat angles C4'-P-C4' energy: -85.401 flat angles P-C4'-P energy: -44.830 tors. eta vs tors. theta energy: -30.303 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: 6 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -631.934452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.934452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.934452 (E_RNA) where: Base-Base interactions energy: -347.385 where: short stacking energy: -191.114 Base-Backbone interact. energy: 0.137 local terms energy: -284.687119 where: bonds (distance) C4'-P energy: -66.305 bonds (distance) P-C4' energy: -77.425 flat angles C4'-P-C4' energy: -88.795 flat angles P-C4'-P energy: -54.249 tors. eta vs tors. theta energy: 2.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -613.535775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.535775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.535775 (E_RNA) where: Base-Base interactions energy: -302.858 where: short stacking energy: -178.126 Base-Backbone interact. energy: 0.894 local terms energy: -311.571657 where: bonds (distance) C4'-P energy: -78.594 bonds (distance) P-C4' energy: -83.422 flat angles C4'-P-C4' energy: -90.774 flat angles P-C4'-P energy: -38.238 tors. eta vs tors. theta energy: -20.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -391.617933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.617933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.617933 (E_RNA) where: Base-Base interactions energy: -176.611 where: short stacking energy: -105.531 Base-Backbone interact. energy: 0.004 local terms energy: -215.010091 where: bonds (distance) C4'-P energy: -71.405 bonds (distance) P-C4' energy: -88.987 flat angles C4'-P-C4' energy: -62.914 flat angles P-C4'-P energy: -19.417 tors. eta vs tors. theta energy: 27.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1275.634104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.634104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.634104 (E_RNA) where: Base-Base interactions energy: -819.325 where: short stacking energy: -388.683 Base-Backbone interact. energy: -1.216 local terms energy: -455.094048 where: bonds (distance) C4'-P energy: -84.981 bonds (distance) P-C4' energy: -96.992 flat angles C4'-P-C4' energy: -99.944 flat angles P-C4'-P energy: -75.483 tors. eta vs tors. theta energy: -97.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1139.002557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.002557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.002557 (E_RNA) where: Base-Base interactions energy: -714.003 where: short stacking energy: -355.478 Base-Backbone interact. energy: -1.318 local terms energy: -423.681153 where: bonds (distance) C4'-P energy: -92.938 bonds (distance) P-C4' energy: -96.719 flat angles C4'-P-C4' energy: -93.062 flat angles P-C4'-P energy: -53.638 tors. eta vs tors. theta energy: -87.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -989.272588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.272588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.272588 (E_RNA) where: Base-Base interactions energy: -576.406 where: short stacking energy: -316.947 Base-Backbone interact. energy: -2.544 local terms energy: -410.322374 where: bonds (distance) C4'-P energy: -86.130 bonds (distance) P-C4' energy: -88.539 flat angles C4'-P-C4' energy: -81.998 flat angles P-C4'-P energy: -68.448 tors. eta vs tors. theta energy: -85.207 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: 5 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -923.976909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.976909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.976909 (E_RNA) where: Base-Base interactions energy: -553.934 where: short stacking energy: -337.938 Base-Backbone interact. energy: -1.045 local terms energy: -368.997404 where: bonds (distance) C4'-P energy: -80.967 bonds (distance) P-C4' energy: -84.647 flat angles C4'-P-C4' energy: -88.815 flat angles P-C4'-P energy: -52.005 tors. eta vs tors. theta energy: -62.564 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: 5, replica: 1 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -717.542453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.542453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.542453 (E_RNA) where: Base-Base interactions energy: -363.822 where: short stacking energy: -226.036 Base-Backbone interact. energy: -1.372 local terms energy: -352.348584 where: bonds (distance) C4'-P energy: -82.522 bonds (distance) P-C4' energy: -79.279 flat angles C4'-P-C4' energy: -92.113 flat angles P-C4'-P energy: -60.954 tors. eta vs tors. theta energy: -37.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -812.419098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.419098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.419098 (E_RNA) where: Base-Base interactions energy: -449.724 where: short stacking energy: -247.606 Base-Backbone interact. energy: -0.634 local terms energy: -362.061584 where: bonds (distance) C4'-P energy: -96.361 bonds (distance) P-C4' energy: -93.821 flat angles C4'-P-C4' energy: -65.800 flat angles P-C4'-P energy: -57.143 tors. eta vs tors. theta energy: -48.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -688.822165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.822165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.822165 (E_RNA) where: Base-Base interactions energy: -382.626 where: short stacking energy: -223.857 Base-Backbone interact. energy: -1.737 local terms energy: -304.458921 where: bonds (distance) C4'-P energy: -75.047 bonds (distance) P-C4' energy: -72.144 flat angles C4'-P-C4' energy: -78.427 flat angles P-C4'-P energy: -58.437 tors. eta vs tors. theta energy: -20.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -621.514900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.514900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.514900 (E_RNA) where: Base-Base interactions energy: -304.005 where: short stacking energy: -170.154 Base-Backbone interact. energy: 2.443 local terms energy: -319.952828 where: bonds (distance) C4'-P energy: -89.642 bonds (distance) P-C4' energy: -75.780 flat angles C4'-P-C4' energy: -72.936 flat angles P-C4'-P energy: -57.329 tors. eta vs tors. theta energy: -24.265 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: 10 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -519.534102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.534102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.534102 (E_RNA) where: Base-Base interactions energy: -240.537 where: short stacking energy: -126.458 Base-Backbone interact. energy: -2.307 local terms energy: -276.690096 where: bonds (distance) C4'-P energy: -80.469 bonds (distance) P-C4' energy: -88.319 flat angles C4'-P-C4' energy: -63.817 flat angles P-C4'-P energy: -53.234 tors. eta vs tors. theta energy: 9.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -387.797488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.797488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.797488 (E_RNA) where: Base-Base interactions energy: -137.844 where: short stacking energy: -110.600 Base-Backbone interact. energy: -0.113 local terms energy: -249.840448 where: bonds (distance) C4'-P energy: -76.755 bonds (distance) P-C4' energy: -80.983 flat angles C4'-P-C4' energy: -64.077 flat angles P-C4'-P energy: -42.356 tors. eta vs tors. theta energy: 14.330 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: 3 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1296.045264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.045264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.045264 (E_RNA) where: Base-Base interactions energy: -818.972 where: short stacking energy: -388.645 Base-Backbone interact. energy: -1.678 local terms energy: -475.395467 where: bonds (distance) C4'-P energy: -92.917 bonds (distance) P-C4' energy: -104.824 flat angles C4'-P-C4' energy: -104.119 flat angles P-C4'-P energy: -62.624 tors. eta vs tors. theta energy: -110.912 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: 7 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1174.696516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.696516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.696516 (E_RNA) where: Base-Base interactions energy: -742.433 where: short stacking energy: -349.765 Base-Backbone interact. energy: -1.555 local terms energy: -430.709022 where: bonds (distance) C4'-P energy: -96.820 bonds (distance) P-C4' energy: -93.426 flat angles C4'-P-C4' energy: -96.865 flat angles P-C4'-P energy: -58.564 tors. eta vs tors. theta energy: -85.035 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: 12 Temperature: 1.000000 Total energy: -1034.432885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.432885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.432885 (E_RNA) where: Base-Base interactions energy: -633.907 where: short stacking energy: -309.810 Base-Backbone interact. energy: -2.280 local terms energy: -398.246464 where: bonds (distance) C4'-P energy: -96.674 bonds (distance) P-C4' energy: -87.134 flat angles C4'-P-C4' energy: -92.489 flat angles P-C4'-P energy: -62.415 tors. eta vs tors. theta energy: -59.535 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: 5 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -910.723846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.723846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.723846 (E_RNA) where: Base-Base interactions energy: -502.311 where: short stacking energy: -312.692 Base-Backbone interact. energy: -2.100 local terms energy: -406.313300 where: bonds (distance) C4'-P energy: -77.901 bonds (distance) P-C4' energy: -103.507 flat angles C4'-P-C4' energy: -105.814 flat angles P-C4'-P energy: -46.671 tors. eta vs tors. theta energy: -72.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -885.075915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.075915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.075915 (E_RNA) where: Base-Base interactions energy: -518.888 where: short stacking energy: -303.885 Base-Backbone interact. energy: 4.058 local terms energy: -370.246133 where: bonds (distance) C4'-P energy: -84.113 bonds (distance) P-C4' energy: -81.132 flat angles C4'-P-C4' energy: -86.706 flat angles P-C4'-P energy: -45.757 tors. eta vs tors. theta energy: -72.538 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: 1 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -664.891980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.891980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.891980 (E_RNA) where: Base-Base interactions energy: -325.441 where: short stacking energy: -205.092 Base-Backbone interact. energy: -0.911 local terms energy: -338.539764 where: bonds (distance) C4'-P energy: -82.715 bonds (distance) P-C4' energy: -104.861 flat angles C4'-P-C4' energy: -74.272 flat angles P-C4'-P energy: -49.888 tors. eta vs tors. theta energy: -26.804 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: 7, replica: 8 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -790.484963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.484963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.484963 (E_RNA) where: Base-Base interactions energy: -447.784 where: short stacking energy: -232.382 Base-Backbone interact. energy: 0.360 local terms energy: -343.060310 where: bonds (distance) C4'-P energy: -83.521 bonds (distance) P-C4' energy: -95.555 flat angles C4'-P-C4' energy: -78.785 flat angles P-C4'-P energy: -45.732 tors. eta vs tors. theta energy: -39.468 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: 8, replica: 6 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -639.020774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.020774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.020774 (E_RNA) where: Base-Base interactions energy: -343.910 where: short stacking energy: -170.271 Base-Backbone interact. energy: -2.644 local terms energy: -292.466184 where: bonds (distance) C4'-P energy: -70.663 bonds (distance) P-C4' energy: -94.053 flat angles C4'-P-C4' energy: -89.379 flat angles P-C4'-P energy: -34.245 tors. eta vs tors. theta energy: -4.126 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: 10 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -549.036517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.036517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.036517 (E_RNA) where: Base-Base interactions energy: -273.482 where: short stacking energy: -163.739 Base-Backbone interact. energy: -3.064 local terms energy: -272.490781 where: bonds (distance) C4'-P energy: -75.446 bonds (distance) P-C4' energy: -78.166 flat angles C4'-P-C4' energy: -69.681 flat angles P-C4'-P energy: -49.064 tors. eta vs tors. theta energy: -0.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -385.454314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.454314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.454314 (E_RNA) where: Base-Base interactions energy: -177.013 where: short stacking energy: -109.404 Base-Backbone interact. energy: -1.274 local terms energy: -207.167403 where: bonds (distance) C4'-P energy: -80.242 bonds (distance) P-C4' energy: -93.716 flat angles C4'-P-C4' energy: -47.388 flat angles P-C4'-P energy: -23.876 tors. eta vs tors. theta energy: 38.055 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: 1, replica: 3 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1344.319322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.319322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.319322 (E_RNA) where: Base-Base interactions energy: -873.657 where: short stacking energy: -421.633 Base-Backbone interact. energy: -1.013 local terms energy: -469.649517 where: bonds (distance) C4'-P energy: -103.480 bonds (distance) P-C4' energy: -91.670 flat angles C4'-P-C4' energy: -103.530 flat angles P-C4'-P energy: -60.131 tors. eta vs tors. theta energy: -110.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1267.920967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.920967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.920967 (E_RNA) where: Base-Base interactions energy: -819.387 where: short stacking energy: -398.592 Base-Backbone interact. energy: -1.874 local terms energy: -446.660573 where: bonds (distance) C4'-P energy: -100.718 bonds (distance) P-C4' energy: -86.922 flat angles C4'-P-C4' energy: -85.566 flat angles P-C4'-P energy: -71.347 tors. eta vs tors. theta energy: -102.108 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: 2 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1052.020957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.020957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.020957 (E_RNA) where: Base-Base interactions energy: -644.060 where: short stacking energy: -330.588 Base-Backbone interact. energy: -4.309 local terms energy: -403.651658 where: bonds (distance) C4'-P energy: -88.806 bonds (distance) P-C4' energy: -92.799 flat angles C4'-P-C4' energy: -90.310 flat angles P-C4'-P energy: -55.871 tors. eta vs tors. theta energy: -75.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -982.880368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.880368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.880368 (E_RNA) where: Base-Base interactions energy: -560.053 where: short stacking energy: -330.344 Base-Backbone interact. energy: -1.784 local terms energy: -421.043923 where: bonds (distance) C4'-P energy: -82.977 bonds (distance) P-C4' energy: -104.184 flat angles C4'-P-C4' energy: -91.845 flat angles P-C4'-P energy: -67.584 tors. eta vs tors. theta energy: -74.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -874.509799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.509799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.509799 (E_RNA) where: Base-Base interactions energy: -482.234 where: short stacking energy: -265.826 Base-Backbone interact. energy: -1.842 local terms energy: -390.433914 where: bonds (distance) C4'-P energy: -89.356 bonds (distance) P-C4' energy: -86.707 flat angles C4'-P-C4' energy: -82.518 flat angles P-C4'-P energy: -60.476 tors. eta vs tors. theta energy: -71.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -915.919041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.919041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.919041 (E_RNA) where: Base-Base interactions energy: -568.283 where: short stacking energy: -290.843 Base-Backbone interact. energy: -1.417 local terms energy: -346.218495 where: bonds (distance) C4'-P energy: -73.553 bonds (distance) P-C4' energy: -81.530 flat angles C4'-P-C4' energy: -87.660 flat angles P-C4'-P energy: -45.923 tors. eta vs tors. theta energy: -57.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -616.135406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.135406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.135406 (E_RNA) where: Base-Base interactions energy: -299.105 where: short stacking energy: -193.842 Base-Backbone interact. energy: 0.196 local terms energy: -317.226369 where: bonds (distance) C4'-P energy: -73.222 bonds (distance) P-C4' energy: -87.622 flat angles C4'-P-C4' energy: -82.600 flat angles P-C4'-P energy: -57.108 tors. eta vs tors. theta energy: -16.675 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: 13 Temperature: 1.250000 Total energy: -670.156955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.156955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.156955 (E_RNA) where: Base-Base interactions energy: -379.108 where: short stacking energy: -202.498 Base-Backbone interact. energy: 0.420 local terms energy: -291.469183 where: bonds (distance) C4'-P energy: -61.252 bonds (distance) P-C4' energy: -78.576 flat angles C4'-P-C4' energy: -69.094 flat angles P-C4'-P energy: -50.529 tors. eta vs tors. theta energy: -32.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -581.885331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.885331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.885331 (E_RNA) where: Base-Base interactions energy: -287.349 where: short stacking energy: -168.837 Base-Backbone interact. energy: 0.709 local terms energy: -295.245454 where: bonds (distance) C4'-P energy: -80.121 bonds (distance) P-C4' energy: -74.635 flat angles C4'-P-C4' energy: -76.332 flat angles P-C4'-P energy: -54.646 tors. eta vs tors. theta energy: -9.513 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: 9 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -474.770038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.770038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.770038 (E_RNA) where: Base-Base interactions energy: -219.734 where: short stacking energy: -128.922 Base-Backbone interact. energy: -2.093 local terms energy: -252.943012 where: bonds (distance) C4'-P energy: -82.188 bonds (distance) P-C4' energy: -80.337 flat angles C4'-P-C4' energy: -59.409 flat angles P-C4'-P energy: -39.021 tors. eta vs tors. theta energy: 8.012 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: 1, replica: 3 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1347.129347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.129347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.129347 (E_RNA) where: Base-Base interactions energy: -890.262 where: short stacking energy: -407.910 Base-Backbone interact. energy: -2.015 local terms energy: -454.852258 where: bonds (distance) C4'-P energy: -95.003 bonds (distance) P-C4' energy: -97.047 flat angles C4'-P-C4' energy: -103.177 flat angles P-C4'-P energy: -57.286 tors. eta vs tors. theta energy: -102.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1297.594374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.594374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.594374 (E_RNA) where: Base-Base interactions energy: -831.727 where: short stacking energy: -398.027 Base-Backbone interact. energy: -0.916 local terms energy: -464.951647 where: bonds (distance) C4'-P energy: -100.192 bonds (distance) P-C4' energy: -105.052 flat angles C4'-P-C4' energy: -108.331 flat angles P-C4'-P energy: -51.899 tors. eta vs tors. theta energy: -99.478 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: 2 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1112.804846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.804846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.804846 (E_RNA) where: Base-Base interactions energy: -681.105 where: short stacking energy: -332.502 Base-Backbone interact. energy: -3.852 local terms energy: -427.847971 where: bonds (distance) C4'-P energy: -89.604 bonds (distance) P-C4' energy: -85.463 flat angles C4'-P-C4' energy: -105.614 flat angles P-C4'-P energy: -65.196 tors. eta vs tors. theta energy: -81.971 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: 5 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1058.525023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.525023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.525023 (E_RNA) where: Base-Base interactions energy: -671.980 where: short stacking energy: -332.494 Base-Backbone interact. energy: -2.956 local terms energy: -383.588786 where: bonds (distance) C4'-P energy: -90.915 bonds (distance) P-C4' energy: -94.998 flat angles C4'-P-C4' energy: -78.043 flat angles P-C4'-P energy: -54.157 tors. eta vs tors. theta energy: -65.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1049.350950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.350950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.350950 (E_RNA) where: Base-Base interactions energy: -627.600 where: short stacking energy: -320.241 Base-Backbone interact. energy: 0.406 local terms energy: -422.156976 where: bonds (distance) C4'-P energy: -89.230 bonds (distance) P-C4' energy: -89.687 flat angles C4'-P-C4' energy: -99.304 flat angles P-C4'-P energy: -59.986 tors. eta vs tors. theta energy: -83.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -887.510748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.510748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.510748 (E_RNA) where: Base-Base interactions energy: -504.140 where: short stacking energy: -263.600 Base-Backbone interact. energy: 0.466 local terms energy: -383.836586 where: bonds (distance) C4'-P energy: -92.730 bonds (distance) P-C4' energy: -90.396 flat angles C4'-P-C4' energy: -87.083 flat angles P-C4'-P energy: -55.138 tors. eta vs tors. theta energy: -58.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -752.226263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.226263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.226263 (E_RNA) where: Base-Base interactions energy: -420.898 where: short stacking energy: -225.151 Base-Backbone interact. energy: 3.978 local terms energy: -335.306122 where: bonds (distance) C4'-P energy: -68.752 bonds (distance) P-C4' energy: -99.247 flat angles C4'-P-C4' energy: -73.880 flat angles P-C4'-P energy: -61.146 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: 8, replica: 1 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -536.122100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.122100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.122100 (E_RNA) where: Base-Base interactions energy: -247.022 where: short stacking energy: -166.818 Base-Backbone interact. energy: -0.460 local terms energy: -288.639541 where: bonds (distance) C4'-P energy: -83.048 bonds (distance) P-C4' energy: -86.347 flat angles C4'-P-C4' energy: -68.614 flat angles P-C4'-P energy: -47.074 tors. eta vs tors. theta energy: -3.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -627.805148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.805148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.805148 (E_RNA) where: Base-Base interactions energy: -328.448 where: short stacking energy: -184.427 Base-Backbone interact. energy: 0.433 local terms energy: -299.790188 where: bonds (distance) C4'-P energy: -85.013 bonds (distance) P-C4' energy: -80.214 flat angles C4'-P-C4' energy: -74.718 flat angles P-C4'-P energy: -48.716 tors. eta vs tors. theta energy: -11.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -488.543307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.543307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.543307 (E_RNA) where: Base-Base interactions energy: -252.956 where: short stacking energy: -146.907 Base-Backbone interact. energy: 0.779 local terms energy: -236.366271 where: bonds (distance) C4'-P energy: -69.279 bonds (distance) P-C4' energy: -61.664 flat angles C4'-P-C4' energy: -75.523 flat angles P-C4'-P energy: -30.426 tors. eta vs tors. theta energy: 0.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1329.943393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.943393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.943393 (E_RNA) where: Base-Base interactions energy: -873.458 where: short stacking energy: -399.640 Base-Backbone interact. energy: -2.739 local terms energy: -453.745842 where: bonds (distance) C4'-P energy: -96.317 bonds (distance) P-C4' energy: -90.278 flat angles C4'-P-C4' energy: -99.776 flat angles P-C4'-P energy: -63.292 tors. eta vs tors. theta energy: -104.083 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: 7 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1274.756989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.756989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.756989 (E_RNA) where: Base-Base interactions energy: -817.673 where: short stacking energy: -372.008 Base-Backbone interact. energy: -0.725 local terms energy: -456.359851 where: bonds (distance) C4'-P energy: -92.790 bonds (distance) P-C4' energy: -92.308 flat angles C4'-P-C4' energy: -106.704 flat angles P-C4'-P energy: -69.472 tors. eta vs tors. theta energy: -95.086 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: 15 Temperature: 1.000000 Total energy: -1218.408738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.408738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.408738 (E_RNA) where: Base-Base interactions energy: -786.508 where: short stacking energy: -362.703 Base-Backbone interact. energy: -2.508 local terms energy: -429.392272 where: bonds (distance) C4'-P energy: -91.601 bonds (distance) P-C4' energy: -99.510 flat angles C4'-P-C4' energy: -84.672 flat angles P-C4'-P energy: -58.057 tors. eta vs tors. theta energy: -95.552 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: 8 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1138.642464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.642464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.642464 (E_RNA) where: Base-Base interactions energy: -730.204 where: short stacking energy: -373.446 Base-Backbone interact. energy: 0.290 local terms energy: -408.728098 where: bonds (distance) C4'-P energy: -80.994 bonds (distance) P-C4' energy: -91.803 flat angles C4'-P-C4' energy: -93.669 flat angles P-C4'-P energy: -59.782 tors. eta vs tors. theta energy: -82.479 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: 5, replica: 5 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -989.986859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.986859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.986859 (E_RNA) where: Base-Base interactions energy: -614.112 where: short stacking energy: -273.297 Base-Backbone interact. energy: 0.726 local terms energy: -376.601071 where: bonds (distance) C4'-P energy: -77.179 bonds (distance) P-C4' energy: -91.455 flat angles C4'-P-C4' energy: -84.447 flat angles P-C4'-P energy: -64.133 tors. eta vs tors. theta energy: -59.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -896.802314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.802314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.802314 (E_RNA) where: Base-Base interactions energy: -537.136 where: short stacking energy: -281.232 Base-Backbone interact. energy: 0.745 local terms energy: -360.411288 where: bonds (distance) C4'-P energy: -72.146 bonds (distance) P-C4' energy: -93.790 flat angles C4'-P-C4' energy: -78.527 flat angles P-C4'-P energy: -48.195 tors. eta vs tors. theta energy: -67.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -768.081514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.081514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.081514 (E_RNA) where: Base-Base interactions energy: -427.206 where: short stacking energy: -250.941 Base-Backbone interact. energy: 0.383 local terms energy: -341.259046 where: bonds (distance) C4'-P energy: -80.344 bonds (distance) P-C4' energy: -89.960 flat angles C4'-P-C4' energy: -77.711 flat angles P-C4'-P energy: -48.545 tors. eta vs tors. theta energy: -44.699 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: 8, replica: 10 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -786.528999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.528999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.528999 (E_RNA) where: Base-Base interactions energy: -471.975 where: short stacking energy: -216.153 Base-Backbone interact. energy: -1.869 local terms energy: -312.684848 where: bonds (distance) C4'-P energy: -86.048 bonds (distance) P-C4' energy: -74.384 flat angles C4'-P-C4' energy: -84.226 flat angles P-C4'-P energy: -43.218 tors. eta vs tors. theta energy: -24.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -479.865994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.865994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.865994 (E_RNA) where: Base-Base interactions energy: -209.598 where: short stacking energy: -134.719 Base-Backbone interact. energy: -0.133 local terms energy: -270.134805 where: bonds (distance) C4'-P energy: -79.401 bonds (distance) P-C4' energy: -93.786 flat angles C4'-P-C4' energy: -53.406 flat angles P-C4'-P energy: -45.052 tors. eta vs tors. theta energy: 1.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -528.638329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.638329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.638329 (E_RNA) where: Base-Base interactions energy: -274.330 where: short stacking energy: -154.533 Base-Backbone interact. energy: -2.141 local terms energy: -252.167370 where: bonds (distance) C4'-P energy: -56.098 bonds (distance) P-C4' energy: -69.172 flat angles C4'-P-C4' energy: -74.518 flat angles P-C4'-P energy: -46.319 tors. eta vs tors. theta energy: -6.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1373.435954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.435954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.435954 (E_RNA) where: Base-Base interactions energy: -881.588 where: short stacking energy: -415.200 Base-Backbone interact. energy: -2.249 local terms energy: -489.598501 where: bonds (distance) C4'-P energy: -103.624 bonds (distance) P-C4' energy: -98.269 flat angles C4'-P-C4' energy: -114.724 flat angles P-C4'-P energy: -70.083 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: 2, replica: 7 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1275.802171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.802171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.802171 (E_RNA) where: Base-Base interactions energy: -812.100 where: short stacking energy: -390.609 Base-Backbone interact. energy: -2.804 local terms energy: -460.897795 where: bonds (distance) C4'-P energy: -92.122 bonds (distance) P-C4' energy: -98.950 flat angles C4'-P-C4' energy: -102.087 flat angles P-C4'-P energy: -61.775 tors. eta vs tors. theta energy: -105.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1225.420100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.420100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.420100 (E_RNA) where: Base-Base interactions energy: -772.406 where: short stacking energy: -388.596 Base-Backbone interact. energy: -3.516 local terms energy: -449.498427 where: bonds (distance) C4'-P energy: -93.600 bonds (distance) P-C4' energy: -85.264 flat angles C4'-P-C4' energy: -120.104 flat angles P-C4'-P energy: -49.133 tors. eta vs tors. theta energy: -101.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1115.418577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.418577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.418577 (E_RNA) where: Base-Base interactions energy: -728.666 where: short stacking energy: -337.756 Base-Backbone interact. energy: -1.191 local terms energy: -385.561478 where: bonds (distance) C4'-P energy: -82.680 bonds (distance) P-C4' energy: -85.131 flat angles C4'-P-C4' energy: -87.121 flat angles P-C4'-P energy: -57.142 tors. eta vs tors. theta energy: -73.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1005.430525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.430525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.430525 (E_RNA) where: Base-Base interactions energy: -625.732 where: short stacking energy: -319.254 Base-Backbone interact. energy: -1.376 local terms energy: -378.321894 where: bonds (distance) C4'-P energy: -76.250 bonds (distance) P-C4' energy: -87.018 flat angles C4'-P-C4' energy: -88.991 flat angles P-C4'-P energy: -53.273 tors. eta vs tors. theta energy: -72.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -996.343089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.343089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.343089 (E_RNA) where: Base-Base interactions energy: -637.861 where: short stacking energy: -301.437 Base-Backbone interact. energy: 0.106 local terms energy: -358.587635 where: bonds (distance) C4'-P energy: -78.373 bonds (distance) P-C4' energy: -81.267 flat angles C4'-P-C4' energy: -91.769 flat angles P-C4'-P energy: -49.251 tors. eta vs tors. theta energy: -57.928 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: 16 Temperature: 1.200000 Total energy: -795.940065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.940065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.940065 (E_RNA) where: Base-Base interactions energy: -468.721 where: short stacking energy: -238.287 Base-Backbone interact. energy: -2.574 local terms energy: -324.645526 where: bonds (distance) C4'-P energy: -79.610 bonds (distance) P-C4' energy: -76.186 flat angles C4'-P-C4' energy: -83.701 flat angles P-C4'-P energy: -48.362 tors. eta vs tors. theta energy: -36.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -796.401282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.401282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.401282 (E_RNA) where: Base-Base interactions energy: -468.018 where: short stacking energy: -235.189 Base-Backbone interact. energy: -0.853 local terms energy: -327.530652 where: bonds (distance) C4'-P energy: -84.407 bonds (distance) P-C4' energy: -87.320 flat angles C4'-P-C4' energy: -66.262 flat angles P-C4'-P energy: -54.046 tors. eta vs tors. theta energy: -35.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -548.087798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.087798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.087798 (E_RNA) where: Base-Base interactions energy: -271.127 where: short stacking energy: -137.888 Base-Backbone interact. energy: -1.654 local terms energy: -275.307041 where: bonds (distance) C4'-P energy: -82.365 bonds (distance) P-C4' energy: -84.325 flat angles C4'-P-C4' energy: -68.654 flat angles P-C4'-P energy: -46.622 tors. eta vs tors. theta energy: 6.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -501.917833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.917833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.917833 (E_RNA) where: Base-Base interactions energy: -216.918 where: short stacking energy: -129.473 Base-Backbone interact. energy: -2.707 local terms energy: -282.292799 where: bonds (distance) C4'-P energy: -89.118 bonds (distance) P-C4' energy: -80.299 flat angles C4'-P-C4' energy: -71.000 flat angles P-C4'-P energy: -46.732 tors. eta vs tors. theta energy: 4.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1413.356612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.356612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.356612 (E_RNA) where: Base-Base interactions energy: -948.204 where: short stacking energy: -416.908 Base-Backbone interact. energy: -2.929 local terms energy: -462.223742 where: bonds (distance) C4'-P energy: -98.816 bonds (distance) P-C4' energy: -94.881 flat angles C4'-P-C4' energy: -101.150 flat angles P-C4'-P energy: -54.525 tors. eta vs tors. theta energy: -112.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1246.485873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.485873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.485873 (E_RNA) where: Base-Base interactions energy: -798.988 where: short stacking energy: -365.554 Base-Backbone interact. energy: -1.691 local terms energy: -445.807121 where: bonds (distance) C4'-P energy: -89.680 bonds (distance) P-C4' energy: -99.464 flat angles C4'-P-C4' energy: -93.786 flat angles P-C4'-P energy: -66.780 tors. eta vs tors. theta energy: -96.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1197.590701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.590701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.590701 (E_RNA) where: Base-Base interactions energy: -760.412 where: short stacking energy: -336.572 Base-Backbone interact. energy: -3.592 local terms energy: -433.587373 where: bonds (distance) C4'-P energy: -93.753 bonds (distance) P-C4' energy: -98.700 flat angles C4'-P-C4' energy: -100.562 flat angles P-C4'-P energy: -63.913 tors. eta vs tors. theta energy: -76.660 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: 4, replica: 8 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1160.640507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.640507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.640507 (E_RNA) where: Base-Base interactions energy: -733.508 where: short stacking energy: -356.918 Base-Backbone interact. energy: -0.244 local terms energy: -426.888150 where: bonds (distance) C4'-P energy: -72.817 bonds (distance) P-C4' energy: -93.835 flat angles C4'-P-C4' energy: -103.950 flat angles P-C4'-P energy: -67.214 tors. eta vs tors. theta energy: -89.073 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: 5 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1057.905012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.905012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.905012 (E_RNA) where: Base-Base interactions energy: -655.853 where: short stacking energy: -319.929 Base-Backbone interact. energy: -2.073 local terms energy: -399.979143 where: bonds (distance) C4'-P energy: -85.905 bonds (distance) P-C4' energy: -88.024 flat angles C4'-P-C4' energy: -83.198 flat angles P-C4'-P energy: -64.626 tors. eta vs tors. theta energy: -78.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1016.764102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.764102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.764102 (E_RNA) where: Base-Base interactions energy: -640.912 where: short stacking energy: -297.573 Base-Backbone interact. energy: -1.181 local terms energy: -374.670744 where: bonds (distance) C4'-P energy: -81.296 bonds (distance) P-C4' energy: -84.866 flat angles C4'-P-C4' energy: -91.072 flat angles P-C4'-P energy: -48.897 tors. eta vs tors. theta energy: -68.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -815.223923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.223923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.223923 (E_RNA) where: Base-Base interactions energy: -453.230 where: short stacking energy: -230.140 Base-Backbone interact. energy: -1.977 local terms energy: -360.016551 where: bonds (distance) C4'-P energy: -95.086 bonds (distance) P-C4' energy: -89.248 flat angles C4'-P-C4' energy: -80.600 flat angles P-C4'-P energy: -53.142 tors. eta vs tors. theta energy: -41.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -815.459586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.459586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.459586 (E_RNA) where: Base-Base interactions energy: -472.258 where: short stacking energy: -231.941 Base-Backbone interact. energy: 0.305 local terms energy: -343.506404 where: bonds (distance) C4'-P energy: -84.949 bonds (distance) P-C4' energy: -88.299 flat angles C4'-P-C4' energy: -75.020 flat angles P-C4'-P energy: -54.347 tors. eta vs tors. theta energy: -40.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -599.513909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.513909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.513909 (E_RNA) where: Base-Base interactions energy: -309.228 where: short stacking energy: -150.285 Base-Backbone interact. energy: 3.073 local terms energy: -293.359659 where: bonds (distance) C4'-P energy: -93.154 bonds (distance) P-C4' energy: -92.748 flat angles C4'-P-C4' energy: -65.721 flat angles P-C4'-P energy: -40.981 tors. eta vs tors. theta energy: -0.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -464.312017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.312017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.312017 (E_RNA) where: Base-Base interactions energy: -210.053 where: short stacking energy: -121.954 Base-Backbone interact. energy: 0.932 local terms energy: -255.191634 where: bonds (distance) C4'-P energy: -61.991 bonds (distance) P-C4' energy: -93.831 flat angles C4'-P-C4' energy: -59.494 flat angles P-C4'-P energy: -42.508 tors. eta vs tors. theta energy: 2.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1439.549661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.549661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.549661 (E_RNA) where: Base-Base interactions energy: -955.574 where: short stacking energy: -442.267 Base-Backbone interact. energy: -0.337 local terms energy: -483.638193 where: bonds (distance) C4'-P energy: -99.130 bonds (distance) P-C4' energy: -101.555 flat angles C4'-P-C4' energy: -110.818 flat angles P-C4'-P energy: -63.095 tors. eta vs tors. theta energy: -109.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1263.843766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.843766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.843766 (E_RNA) where: Base-Base interactions energy: -799.641 where: short stacking energy: -365.308 Base-Backbone interact. energy: -3.494 local terms energy: -460.708913 where: bonds (distance) C4'-P energy: -96.959 bonds (distance) P-C4' energy: -96.755 flat angles C4'-P-C4' energy: -102.791 flat angles P-C4'-P energy: -68.008 tors. eta vs tors. theta energy: -96.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1185.651235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.651235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.651235 (E_RNA) where: Base-Base interactions energy: -742.441 where: short stacking energy: -344.188 Base-Backbone interact. energy: -2.156 local terms energy: -441.054134 where: bonds (distance) C4'-P energy: -98.268 bonds (distance) P-C4' energy: -96.481 flat angles C4'-P-C4' energy: -94.168 flat angles P-C4'-P energy: -69.640 tors. eta vs tors. theta energy: -82.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1239.852546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.852546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.852546 (E_RNA) where: Base-Base interactions energy: -802.778 where: short stacking energy: -377.020 Base-Backbone interact. energy: 1.306 local terms energy: -438.380848 where: bonds (distance) C4'-P energy: -90.950 bonds (distance) P-C4' energy: -85.568 flat angles C4'-P-C4' energy: -112.086 flat angles P-C4'-P energy: -61.928 tors. eta vs tors. theta energy: -87.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1021.573621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.573621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.573621 (E_RNA) where: Base-Base interactions energy: -623.291 where: short stacking energy: -328.216 Base-Backbone interact. energy: -1.494 local terms energy: -396.789084 where: bonds (distance) C4'-P energy: -87.099 bonds (distance) P-C4' energy: -79.356 flat angles C4'-P-C4' energy: -87.620 flat angles P-C4'-P energy: -60.195 tors. eta vs tors. theta energy: -82.519 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: 4 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -961.982846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.982846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.982846 (E_RNA) where: Base-Base interactions energy: -563.684 where: short stacking energy: -283.843 Base-Backbone interact. energy: -0.891 local terms energy: -397.408237 where: bonds (distance) C4'-P energy: -85.900 bonds (distance) P-C4' energy: -98.344 flat angles C4'-P-C4' energy: -83.207 flat angles P-C4'-P energy: -61.964 tors. eta vs tors. theta energy: -67.993 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: 18 Temperature: 1.200000 Total energy: -883.308817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.308817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.308817 (E_RNA) where: Base-Base interactions energy: -540.327 where: short stacking energy: -250.914 Base-Backbone interact. energy: 2.470 local terms energy: -345.452293 where: bonds (distance) C4'-P energy: -77.890 bonds (distance) P-C4' energy: -108.152 flat angles C4'-P-C4' energy: -67.594 flat angles P-C4'-P energy: -60.391 tors. eta vs tors. theta energy: -31.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -708.325642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.325642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.325642 (E_RNA) where: Base-Base interactions energy: -373.680 where: short stacking energy: -192.010 Base-Backbone interact. energy: -0.240 local terms energy: -334.406234 where: bonds (distance) C4'-P energy: -88.189 bonds (distance) P-C4' energy: -88.548 flat angles C4'-P-C4' energy: -83.842 flat angles P-C4'-P energy: -49.136 tors. eta vs tors. theta energy: -24.692 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: 9, replica: 9 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -553.704043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.704043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.704043 (E_RNA) where: Base-Base interactions energy: -278.210 where: short stacking energy: -152.286 Base-Backbone interact. energy: 2.348 local terms energy: -277.841392 where: bonds (distance) C4'-P energy: -77.282 bonds (distance) P-C4' energy: -93.421 flat angles C4'-P-C4' energy: -58.922 flat angles P-C4'-P energy: -42.101 tors. eta vs tors. theta energy: -6.115 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: 1 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -466.296924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.296924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.296924 (E_RNA) where: Base-Base interactions energy: -206.895 where: short stacking energy: -110.196 Base-Backbone interact. energy: -1.997 local terms energy: -257.404699 where: bonds (distance) C4'-P energy: -71.408 bonds (distance) P-C4' energy: -81.620 flat angles C4'-P-C4' energy: -56.981 flat angles P-C4'-P energy: -45.188 tors. eta vs tors. theta energy: -2.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1438.771939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.771939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.771939 (E_RNA) where: Base-Base interactions energy: -965.312 where: short stacking energy: -413.942 Base-Backbone interact. energy: -2.521 local terms energy: -470.938620 where: bonds (distance) C4'-P energy: -94.952 bonds (distance) P-C4' energy: -95.534 flat angles C4'-P-C4' energy: -110.067 flat angles P-C4'-P energy: -67.465 tors. eta vs tors. theta energy: -102.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1296.876959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.876959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.876959 (E_RNA) where: Base-Base interactions energy: -874.418 where: short stacking energy: -365.342 Base-Backbone interact. energy: 4.038 local terms energy: -426.496308 where: bonds (distance) C4'-P energy: -93.259 bonds (distance) P-C4' energy: -89.686 flat angles C4'-P-C4' energy: -101.692 flat angles P-C4'-P energy: -62.751 tors. eta vs tors. theta energy: -79.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1162.000267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.000267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.000267 (E_RNA) where: Base-Base interactions energy: -738.640 where: short stacking energy: -365.457 Base-Backbone interact. energy: -1.476 local terms energy: -421.884997 where: bonds (distance) C4'-P energy: -84.852 bonds (distance) P-C4' energy: -90.030 flat angles C4'-P-C4' energy: -99.316 flat angles P-C4'-P energy: -63.605 tors. eta vs tors. theta energy: -84.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1261.168691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.168691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.168691 (E_RNA) where: Base-Base interactions energy: -832.047 where: short stacking energy: -404.223 Base-Backbone interact. energy: 0.795 local terms energy: -429.916033 where: bonds (distance) C4'-P energy: -78.674 bonds (distance) P-C4' energy: -82.351 flat angles C4'-P-C4' energy: -106.187 flat angles P-C4'-P energy: -52.658 tors. eta vs tors. theta energy: -110.046 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: 5 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1051.133793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.133793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.133793 (E_RNA) where: Base-Base interactions energy: -650.052 where: short stacking energy: -326.754 Base-Backbone interact. energy: -0.613 local terms energy: -400.468805 where: bonds (distance) C4'-P energy: -92.106 bonds (distance) P-C4' energy: -87.901 flat angles C4'-P-C4' energy: -87.888 flat angles P-C4'-P energy: -55.929 tors. eta vs tors. theta energy: -76.646 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: 4 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1010.382593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.382593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.382593 (E_RNA) where: Base-Base interactions energy: -637.875 where: short stacking energy: -284.807 Base-Backbone interact. energy: -0.641 local terms energy: -371.865923 where: bonds (distance) C4'-P energy: -79.554 bonds (distance) P-C4' energy: -89.067 flat angles C4'-P-C4' energy: -89.176 flat angles P-C4'-P energy: -65.290 tors. eta vs tors. theta energy: -48.779 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: 10 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -914.936696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.936696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.936696 (E_RNA) where: Base-Base interactions energy: -563.803 where: short stacking energy: -282.864 Base-Backbone interact. energy: -1.412 local terms energy: -349.721828 where: bonds (distance) C4'-P energy: -85.857 bonds (distance) P-C4' energy: -93.990 flat angles C4'-P-C4' energy: -67.326 flat angles P-C4'-P energy: -60.526 tors. eta vs tors. theta energy: -42.023 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: 6 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -652.622472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.622472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.622472 (E_RNA) where: Base-Base interactions energy: -357.508 where: short stacking energy: -192.775 Base-Backbone interact. energy: -0.140 local terms energy: -294.975269 where: bonds (distance) C4'-P energy: -68.028 bonds (distance) P-C4' energy: -81.330 flat angles C4'-P-C4' energy: -80.003 flat angles P-C4'-P energy: -53.952 tors. eta vs tors. theta energy: -11.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -586.687116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.687116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.687116 (E_RNA) where: Base-Base interactions energy: -302.891 where: short stacking energy: -160.975 Base-Backbone interact. energy: -2.592 local terms energy: -281.203946 where: bonds (distance) C4'-P energy: -83.054 bonds (distance) P-C4' energy: -81.445 flat angles C4'-P-C4' energy: -77.563 flat angles P-C4'-P energy: -32.655 tors. eta vs tors. theta energy: -6.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -502.275596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.275596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.275596 (E_RNA) where: Base-Base interactions energy: -245.534 where: short stacking energy: -149.146 Base-Backbone interact. energy: -2.048 local terms energy: -254.694109 where: bonds (distance) C4'-P energy: -68.764 bonds (distance) P-C4' energy: -80.180 flat angles C4'-P-C4' energy: -68.348 flat angles P-C4'-P energy: -41.363 tors. eta vs tors. theta energy: 3.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1453.080026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.080026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.080026 (E_RNA) where: Base-Base interactions energy: -972.535 where: short stacking energy: -437.185 Base-Backbone interact. energy: 1.473 local terms energy: -482.018422 where: bonds (distance) C4'-P energy: -97.537 bonds (distance) P-C4' energy: -97.248 flat angles C4'-P-C4' energy: -100.542 flat angles P-C4'-P energy: -69.675 tors. eta vs tors. theta energy: -117.016 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: 7 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1333.809861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.809861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.809861 (E_RNA) where: Base-Base interactions energy: -876.747 where: short stacking energy: -401.991 Base-Backbone interact. energy: 1.677 local terms energy: -458.739307 where: bonds (distance) C4'-P energy: -97.844 bonds (distance) P-C4' energy: -91.118 flat angles C4'-P-C4' energy: -104.797 flat angles P-C4'-P energy: -59.283 tors. eta vs tors. theta energy: -105.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1349.612717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.612717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.612717 (E_RNA) where: Base-Base interactions energy: -884.847 where: short stacking energy: -420.361 Base-Backbone interact. energy: 0.341 local terms energy: -465.106345 where: bonds (distance) C4'-P energy: -86.388 bonds (distance) P-C4' energy: -88.993 flat angles C4'-P-C4' energy: -110.748 flat angles P-C4'-P energy: -71.899 tors. eta vs tors. theta energy: -107.078 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: 4, replica: 2 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1156.747950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.747950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.747950 (E_RNA) where: Base-Base interactions energy: -727.083 where: short stacking energy: -350.141 Base-Backbone interact. energy: -0.145 local terms energy: -429.519624 where: bonds (distance) C4'-P energy: -97.246 bonds (distance) P-C4' energy: -86.491 flat angles C4'-P-C4' energy: -94.264 flat angles P-C4'-P energy: -64.375 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: 5, replica: 4 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1085.471602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.471602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.471602 (E_RNA) where: Base-Base interactions energy: -677.834 where: short stacking energy: -301.213 Base-Backbone interact. energy: -3.339 local terms energy: -404.299245 where: bonds (distance) C4'-P energy: -98.818 bonds (distance) P-C4' energy: -79.793 flat angles C4'-P-C4' energy: -84.020 flat angles P-C4'-P energy: -67.407 tors. eta vs tors. theta energy: -74.261 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: 6, replica: 5 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1028.018617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.018617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.018617 (E_RNA) where: Base-Base interactions energy: -640.173 where: short stacking energy: -307.260 Base-Backbone interact. energy: 0.017 local terms energy: -387.862017 where: bonds (distance) C4'-P energy: -81.531 bonds (distance) P-C4' energy: -89.494 flat angles C4'-P-C4' energy: -94.707 flat angles P-C4'-P energy: -57.170 tors. eta vs tors. theta energy: -64.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -976.834039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.834039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.834039 (E_RNA) where: Base-Base interactions energy: -644.354 where: short stacking energy: -274.951 Base-Backbone interact. energy: -1.977 local terms energy: -330.502525 where: bonds (distance) C4'-P energy: -68.275 bonds (distance) P-C4' energy: -77.640 flat angles C4'-P-C4' energy: -64.717 flat angles P-C4'-P energy: -60.471 tors. eta vs tors. theta energy: -59.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -629.047067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.047067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.047067 (E_RNA) where: Base-Base interactions energy: -338.284 where: short stacking energy: -175.379 Base-Backbone interact. energy: 0.499 local terms energy: -291.262660 where: bonds (distance) C4'-P energy: -83.838 bonds (distance) P-C4' energy: -82.142 flat angles C4'-P-C4' energy: -79.530 flat angles P-C4'-P energy: -33.998 tors. eta vs tors. theta energy: -11.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -615.713135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.713135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.713135 (E_RNA) where: Base-Base interactions energy: -305.258 where: short stacking energy: -171.220 Base-Backbone interact. energy: -1.404 local terms energy: -309.050904 where: bonds (distance) C4'-P energy: -76.426 bonds (distance) P-C4' energy: -75.288 flat angles C4'-P-C4' energy: -72.668 flat angles P-C4'-P energy: -58.334 tors. eta vs tors. theta energy: -26.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -497.058423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.058423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.058423 (E_RNA) where: Base-Base interactions energy: -244.904 where: short stacking energy: -159.733 Base-Backbone interact. energy: 2.357 local terms energy: -254.511568 where: bonds (distance) C4'-P energy: -72.580 bonds (distance) P-C4' energy: -75.195 flat angles C4'-P-C4' energy: -58.801 flat angles P-C4'-P energy: -46.981 tors. eta vs tors. theta energy: -0.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1458.931942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.931942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.931942 (E_RNA) where: Base-Base interactions energy: -965.478 where: short stacking energy: -410.571 Base-Backbone interact. energy: -4.401 local terms energy: -489.052848 where: bonds (distance) C4'-P energy: -101.537 bonds (distance) P-C4' energy: -94.454 flat angles C4'-P-C4' energy: -97.698 flat angles P-C4'-P energy: -76.317 tors. eta vs tors. theta energy: -119.046 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: 8 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1395.878013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.878013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.878013 (E_RNA) where: Base-Base interactions energy: -912.580 where: short stacking energy: -427.370 Base-Backbone interact. energy: -0.383 local terms energy: -482.914966 where: bonds (distance) C4'-P energy: -89.484 bonds (distance) P-C4' energy: -103.155 flat angles C4'-P-C4' energy: -108.272 flat angles P-C4'-P energy: -73.602 tors. eta vs tors. theta energy: -108.401 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: 21 Temperature: 1.000000 Total energy: -1307.712653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.712653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.712653 (E_RNA) where: Base-Base interactions energy: -871.671 where: short stacking energy: -389.723 Base-Backbone interact. energy: -1.258 local terms energy: -434.782869 where: bonds (distance) C4'-P energy: -97.301 bonds (distance) P-C4' energy: -92.743 flat angles C4'-P-C4' energy: -99.635 flat angles P-C4'-P energy: -45.337 tors. eta vs tors. theta energy: -99.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1154.039029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.039029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.039029 (E_RNA) where: Base-Base interactions energy: -704.908 where: short stacking energy: -329.829 Base-Backbone interact. energy: -1.352 local terms energy: -447.779430 where: bonds (distance) C4'-P energy: -92.440 bonds (distance) P-C4' energy: -104.783 flat angles C4'-P-C4' energy: -101.089 flat angles P-C4'-P energy: -58.027 tors. eta vs tors. theta energy: -91.441 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: 2 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1145.308338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.308338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.308338 (E_RNA) where: Base-Base interactions energy: -732.132 where: short stacking energy: -354.264 Base-Backbone interact. energy: 1.552 local terms energy: -414.728332 where: bonds (distance) C4'-P energy: -83.729 bonds (distance) P-C4' energy: -98.038 flat angles C4'-P-C4' energy: -86.943 flat angles P-C4'-P energy: -58.715 tors. eta vs tors. theta energy: -87.303 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: 5 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1093.827830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.827830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.827830 (E_RNA) where: Base-Base interactions energy: -707.702 where: short stacking energy: -340.900 Base-Backbone interact. energy: -2.286 local terms energy: -383.840161 where: bonds (distance) C4'-P energy: -79.634 bonds (distance) P-C4' energy: -91.400 flat angles C4'-P-C4' energy: -83.779 flat angles P-C4'-P energy: -40.807 tors. eta vs tors. theta energy: -88.220 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: 10 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -980.493060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.493060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.493060 (E_RNA) where: Base-Base interactions energy: -607.015 where: short stacking energy: -273.818 Base-Backbone interact. energy: -2.382 local terms energy: -371.096332 where: bonds (distance) C4'-P energy: -81.720 bonds (distance) P-C4' energy: -79.783 flat angles C4'-P-C4' energy: -89.781 flat angles P-C4'-P energy: -54.956 tors. eta vs tors. theta energy: -64.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -689.400991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.400991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.400991 (E_RNA) where: Base-Base interactions energy: -385.920 where: short stacking energy: -210.658 Base-Backbone interact. energy: 0.249 local terms energy: -303.730607 where: bonds (distance) C4'-P energy: -72.628 bonds (distance) P-C4' energy: -84.124 flat angles C4'-P-C4' energy: -75.983 flat angles P-C4'-P energy: -57.930 tors. eta vs tors. theta energy: -13.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -688.909792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.909792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.909792 (E_RNA) where: Base-Base interactions energy: -385.114 where: short stacking energy: -216.851 Base-Backbone interact. energy: 1.609 local terms energy: -305.405047 where: bonds (distance) C4'-P energy: -79.931 bonds (distance) P-C4' energy: -72.562 flat angles C4'-P-C4' energy: -79.089 flat angles P-C4'-P energy: -48.135 tors. eta vs tors. theta energy: -25.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -497.285572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.285572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.285572 (E_RNA) where: Base-Base interactions energy: -229.138 where: short stacking energy: -133.650 Base-Backbone interact. energy: -1.521 local terms energy: -266.627068 where: bonds (distance) C4'-P energy: -73.077 bonds (distance) P-C4' energy: -73.232 flat angles C4'-P-C4' energy: -80.989 flat angles P-C4'-P energy: -48.357 tors. eta vs tors. theta energy: 9.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1449.028311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.028311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.028311 (E_RNA) where: Base-Base interactions energy: -944.977 where: short stacking energy: -448.505 Base-Backbone interact. energy: -3.189 local terms energy: -500.861744 where: bonds (distance) C4'-P energy: -101.271 bonds (distance) P-C4' energy: -100.128 flat angles C4'-P-C4' energy: -106.884 flat angles P-C4'-P energy: -69.566 tors. eta vs tors. theta energy: -123.012 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: 8 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1385.296663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.296663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.296663 (E_RNA) where: Base-Base interactions energy: -908.452 where: short stacking energy: -431.079 Base-Backbone interact. energy: -1.756 local terms energy: -475.088373 where: bonds (distance) C4'-P energy: -85.524 bonds (distance) P-C4' energy: -97.798 flat angles C4'-P-C4' energy: -101.194 flat angles P-C4'-P energy: -77.953 tors. eta vs tors. theta energy: -112.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1322.409053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.409053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.409053 (E_RNA) where: Base-Base interactions energy: -883.548 where: short stacking energy: -386.863 Base-Backbone interact. energy: -1.787 local terms energy: -437.073513 where: bonds (distance) C4'-P energy: -78.867 bonds (distance) P-C4' energy: -97.162 flat angles C4'-P-C4' energy: -99.116 flat angles P-C4'-P energy: -56.318 tors. eta vs tors. theta energy: -105.610 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: 4 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1176.265209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.265209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.265209 (E_RNA) where: Base-Base interactions energy: -742.676 where: short stacking energy: -348.870 Base-Backbone interact. energy: -1.715 local terms energy: -431.873661 where: bonds (distance) C4'-P energy: -90.462 bonds (distance) P-C4' energy: -98.920 flat angles C4'-P-C4' energy: -88.692 flat angles P-C4'-P energy: -63.172 tors. eta vs tors. theta energy: -90.629 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: 5, replica: 5 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1131.995574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.995574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.995574 (E_RNA) where: Base-Base interactions energy: -709.042 where: short stacking energy: -332.415 Base-Backbone interact. energy: 0.500 local terms energy: -423.453558 where: bonds (distance) C4'-P energy: -77.227 bonds (distance) P-C4' energy: -90.016 flat angles C4'-P-C4' energy: -108.219 flat angles P-C4'-P energy: -64.371 tors. eta vs tors. theta energy: -83.621 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: 6, replica: 2 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1043.522527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.522527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.522527 (E_RNA) where: Base-Base interactions energy: -652.750 where: short stacking energy: -313.739 Base-Backbone interact. energy: 0.047 local terms energy: -390.819745 where: bonds (distance) C4'-P energy: -70.391 bonds (distance) P-C4' energy: -94.014 flat angles C4'-P-C4' energy: -96.974 flat angles P-C4'-P energy: -61.258 tors. eta vs tors. theta energy: -68.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1006.438012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.438012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.438012 (E_RNA) where: Base-Base interactions energy: -654.517 where: short stacking energy: -287.608 Base-Backbone interact. energy: 3.700 local terms energy: -355.621185 where: bonds (distance) C4'-P energy: -74.777 bonds (distance) P-C4' energy: -84.674 flat angles C4'-P-C4' energy: -88.091 flat angles P-C4'-P energy: -56.153 tors. eta vs tors. theta energy: -51.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -711.177294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.177294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.177294 (E_RNA) where: Base-Base interactions energy: -422.480 where: short stacking energy: -246.538 Base-Backbone interact. energy: 4.715 local terms energy: -293.412274 where: bonds (distance) C4'-P energy: -75.660 bonds (distance) P-C4' energy: -65.699 flat angles C4'-P-C4' energy: -74.281 flat angles P-C4'-P energy: -51.029 tors. eta vs tors. theta energy: -26.743 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: 1 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -702.373852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.373852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.373852 (E_RNA) where: Base-Base interactions energy: -386.177 where: short stacking energy: -198.013 Base-Backbone interact. energy: -2.097 local terms energy: -314.099726 where: bonds (distance) C4'-P energy: -76.106 bonds (distance) P-C4' energy: -87.462 flat angles C4'-P-C4' energy: -71.909 flat angles P-C4'-P energy: -49.525 tors. eta vs tors. theta energy: -29.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -513.433525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.433525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.433525 (E_RNA) where: Base-Base interactions energy: -217.285 where: short stacking energy: -151.110 Base-Backbone interact. energy: -2.565 local terms energy: -293.582998 where: bonds (distance) C4'-P energy: -74.429 bonds (distance) P-C4' energy: -91.349 flat angles C4'-P-C4' energy: -67.690 flat angles P-C4'-P energy: -55.982 tors. eta vs tors. theta energy: -4.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1454.011568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.011568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.011568 (E_RNA) where: Base-Base interactions energy: -952.368 where: short stacking energy: -478.144 Base-Backbone interact. energy: -1.738 local terms energy: -499.905351 where: bonds (distance) C4'-P energy: -88.842 bonds (distance) P-C4' energy: -97.256 flat angles C4'-P-C4' energy: -108.886 flat angles P-C4'-P energy: -77.637 tors. eta vs tors. theta energy: -127.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1450.938948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.938948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.938948 (E_RNA) where: Base-Base interactions energy: -970.828 where: short stacking energy: -450.971 Base-Backbone interact. energy: -2.360 local terms energy: -477.751008 where: bonds (distance) C4'-P energy: -91.980 bonds (distance) P-C4' energy: -81.997 flat angles C4'-P-C4' energy: -108.067 flat angles P-C4'-P energy: -61.021 tors. eta vs tors. theta energy: -134.687 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: 7 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1322.225528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.225528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.225528 (E_RNA) where: Base-Base interactions energy: -876.860 where: short stacking energy: -395.312 Base-Backbone interact. energy: -4.374 local terms energy: -440.991346 where: bonds (distance) C4'-P energy: -92.234 bonds (distance) P-C4' energy: -89.159 flat angles C4'-P-C4' energy: -87.990 flat angles P-C4'-P energy: -64.772 tors. eta vs tors. theta energy: -106.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1200.658502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.658502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.658502 (E_RNA) where: Base-Base interactions energy: -806.446 where: short stacking energy: -351.534 Base-Backbone interact. energy: -2.742 local terms energy: -391.470960 where: bonds (distance) C4'-P energy: -92.538 bonds (distance) P-C4' energy: -81.136 flat angles C4'-P-C4' energy: -102.232 flat angles P-C4'-P energy: -54.616 tors. eta vs tors. theta energy: -60.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1118.542499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.542499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.542499 (E_RNA) where: Base-Base interactions energy: -733.679 where: short stacking energy: -345.655 Base-Backbone interact. energy: -1.951 local terms energy: -382.912801 where: bonds (distance) C4'-P energy: -79.578 bonds (distance) P-C4' energy: -84.157 flat angles C4'-P-C4' energy: -84.320 flat angles P-C4'-P energy: -58.062 tors. eta vs tors. theta energy: -76.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1042.957658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.957658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.957658 (E_RNA) where: Base-Base interactions energy: -663.268 where: short stacking energy: -306.099 Base-Backbone interact. energy: -1.419 local terms energy: -378.270139 where: bonds (distance) C4'-P energy: -80.037 bonds (distance) P-C4' energy: -82.720 flat angles C4'-P-C4' energy: -78.715 flat angles P-C4'-P energy: -66.303 tors. eta vs tors. theta energy: -70.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1026.655603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.655603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.655603 (E_RNA) where: Base-Base interactions energy: -670.408 where: short stacking energy: -297.227 Base-Backbone interact. energy: -1.044 local terms energy: -355.203718 where: bonds (distance) C4'-P energy: -81.288 bonds (distance) P-C4' energy: -84.535 flat angles C4'-P-C4' energy: -74.219 flat angles P-C4'-P energy: -53.435 tors. eta vs tors. theta energy: -61.726 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: 8, replica: 1 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -690.344210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.344210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.344210 (E_RNA) where: Base-Base interactions energy: -395.438 where: short stacking energy: -195.478 Base-Backbone interact. energy: 2.997 local terms energy: -297.903201 where: bonds (distance) C4'-P energy: -75.143 bonds (distance) P-C4' energy: -81.617 flat angles C4'-P-C4' energy: -67.557 flat angles P-C4'-P energy: -51.856 tors. eta vs tors. theta energy: -21.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -658.496020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.496020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.496020 (E_RNA) where: Base-Base interactions energy: -373.474 where: short stacking energy: -193.585 Base-Backbone interact. energy: -0.516 local terms energy: -284.505856 where: bonds (distance) C4'-P energy: -78.607 bonds (distance) P-C4' energy: -77.336 flat angles C4'-P-C4' energy: -77.094 flat angles P-C4'-P energy: -36.449 tors. eta vs tors. theta energy: -15.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -515.004977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.004977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.004977 (E_RNA) where: Base-Base interactions energy: -238.009 where: short stacking energy: -161.201 Base-Backbone interact. energy: 7.177 local terms energy: -284.172870 where: bonds (distance) C4'-P energy: -69.379 bonds (distance) P-C4' energy: -90.959 flat angles C4'-P-C4' energy: -75.841 flat angles P-C4'-P energy: -15.867 tors. eta vs tors. theta energy: -32.127 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: 24 Temperature: 0.900000 Total energy: -1457.922345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.922345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.922345 (E_RNA) where: Base-Base interactions energy: -970.825 where: short stacking energy: -433.119 Base-Backbone interact. energy: -2.179 local terms energy: -484.917800 where: bonds (distance) C4'-P energy: -98.268 bonds (distance) P-C4' energy: -103.794 flat angles C4'-P-C4' energy: -101.345 flat angles P-C4'-P energy: -64.573 tors. eta vs tors. theta energy: -116.938 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: 8 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1424.397553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.397553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.397553 (E_RNA) where: Base-Base interactions energy: -928.213 where: short stacking energy: -450.726 Base-Backbone interact. energy: 0.176 local terms energy: -496.360758 where: bonds (distance) C4'-P energy: -91.979 bonds (distance) P-C4' energy: -91.395 flat angles C4'-P-C4' energy: -103.378 flat angles P-C4'-P energy: -76.418 tors. eta vs tors. theta energy: -133.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1364.006322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.006322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.006322 (E_RNA) where: Base-Base interactions energy: -893.824 where: short stacking energy: -421.836 Base-Backbone interact. energy: -0.136 local terms energy: -470.045487 where: bonds (distance) C4'-P energy: -94.268 bonds (distance) P-C4' energy: -98.072 flat angles C4'-P-C4' energy: -97.517 flat angles P-C4'-P energy: -65.212 tors. eta vs tors. theta energy: -114.977 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: 4, replica: 4 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1186.442322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.442322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.442322 (E_RNA) where: Base-Base interactions energy: -778.493 where: short stacking energy: -357.687 Base-Backbone interact. energy: -3.661 local terms energy: -404.288539 where: bonds (distance) C4'-P energy: -69.076 bonds (distance) P-C4' energy: -100.332 flat angles C4'-P-C4' energy: -102.250 flat angles P-C4'-P energy: -49.545 tors. eta vs tors. theta energy: -83.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1110.348810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.348810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.348810 (E_RNA) where: Base-Base interactions energy: -702.276 where: short stacking energy: -330.374 Base-Backbone interact. energy: 4.278 local terms energy: -412.350854 where: bonds (distance) C4'-P energy: -94.439 bonds (distance) P-C4' energy: -90.671 flat angles C4'-P-C4' energy: -101.199 flat angles P-C4'-P energy: -62.795 tors. eta vs tors. theta energy: -63.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1116.085689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.085689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.085689 (E_RNA) where: Base-Base interactions energy: -737.069 where: short stacking energy: -327.672 Base-Backbone interact. energy: -0.891 local terms energy: -378.126128 where: bonds (distance) C4'-P energy: -81.097 bonds (distance) P-C4' energy: -79.953 flat angles C4'-P-C4' energy: -80.348 flat angles P-C4'-P energy: -63.495 tors. eta vs tors. theta energy: -73.234 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: 24 Temperature: 1.200000 Total energy: -1035.552835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.552835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.552835 (E_RNA) where: Base-Base interactions energy: -677.174 where: short stacking energy: -321.145 Base-Backbone interact. energy: 2.208 local terms energy: -360.586444 where: bonds (distance) C4'-P energy: -76.832 bonds (distance) P-C4' energy: -91.590 flat angles C4'-P-C4' energy: -88.816 flat angles P-C4'-P energy: -36.904 tors. eta vs tors. theta energy: -66.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -746.559499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.559499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.559499 (E_RNA) where: Base-Base interactions energy: -428.788 where: short stacking energy: -218.446 Base-Backbone interact. energy: -1.344 local terms energy: -316.427335 where: bonds (distance) C4'-P energy: -72.097 bonds (distance) P-C4' energy: -83.244 flat angles C4'-P-C4' energy: -69.892 flat angles P-C4'-P energy: -53.027 tors. eta vs tors. theta energy: -38.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -627.965704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.965704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.965704 (E_RNA) where: Base-Base interactions energy: -329.819 where: short stacking energy: -157.029 Base-Backbone interact. energy: -0.101 local terms energy: -298.045615 where: bonds (distance) C4'-P energy: -73.586 bonds (distance) P-C4' energy: -85.411 flat angles C4'-P-C4' energy: -78.002 flat angles P-C4'-P energy: -57.507 tors. eta vs tors. theta energy: -3.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -507.880490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.880490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.880490 (E_RNA) where: Base-Base interactions energy: -234.025 where: short stacking energy: -146.113 Base-Backbone interact. energy: -0.525 local terms energy: -273.330072 where: bonds (distance) C4'-P energy: -83.527 bonds (distance) P-C4' energy: -81.972 flat angles C4'-P-C4' energy: -60.900 flat angles P-C4'-P energy: -47.516 tors. eta vs tors. theta energy: 0.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1487.324809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.324809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.324809 (E_RNA) where: Base-Base interactions energy: -974.522 where: short stacking energy: -457.233 Base-Backbone interact. energy: -4.453 local terms energy: -508.350022 where: bonds (distance) C4'-P energy: -91.505 bonds (distance) P-C4' energy: -104.970 flat angles C4'-P-C4' energy: -107.732 flat angles P-C4'-P energy: -67.143 tors. eta vs tors. theta energy: -137.001 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: 2, replica: 8 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1435.695424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.695424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.695424 (E_RNA) where: Base-Base interactions energy: -942.222 where: short stacking energy: -461.548 Base-Backbone interact. energy: -2.147 local terms energy: -491.326994 where: bonds (distance) C4'-P energy: -105.421 bonds (distance) P-C4' energy: -87.806 flat angles C4'-P-C4' energy: -104.034 flat angles P-C4'-P energy: -69.520 tors. eta vs tors. theta energy: -124.545 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: 7 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1366.330579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.330579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.330579 (E_RNA) where: Base-Base interactions energy: -922.922 where: short stacking energy: -384.874 Base-Backbone interact. energy: -3.374 local terms energy: -440.035107 where: bonds (distance) C4'-P energy: -93.167 bonds (distance) P-C4' energy: -63.484 flat angles C4'-P-C4' energy: -96.222 flat angles P-C4'-P energy: -62.930 tors. eta vs tors. theta energy: -124.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1198.565915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.565915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.565915 (E_RNA) where: Base-Base interactions energy: -771.057 where: short stacking energy: -357.752 Base-Backbone interact. energy: -3.284 local terms energy: -424.225184 where: bonds (distance) C4'-P energy: -89.021 bonds (distance) P-C4' energy: -97.068 flat angles C4'-P-C4' energy: -89.479 flat angles P-C4'-P energy: -60.547 tors. eta vs tors. theta energy: -88.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1128.092813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.092813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.092813 (E_RNA) where: Base-Base interactions energy: -718.758 where: short stacking energy: -330.060 Base-Backbone interact. energy: -1.121 local terms energy: -408.213827 where: bonds (distance) C4'-P energy: -78.621 bonds (distance) P-C4' energy: -84.151 flat angles C4'-P-C4' energy: -103.531 flat angles P-C4'-P energy: -60.710 tors. eta vs tors. theta energy: -81.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1201.418786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.418786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.418786 (E_RNA) where: Base-Base interactions energy: -797.869 where: short stacking energy: -345.387 Base-Backbone interact. energy: 0.109 local terms energy: -403.659236 where: bonds (distance) C4'-P energy: -85.449 bonds (distance) P-C4' energy: -82.924 flat angles C4'-P-C4' energy: -90.447 flat angles P-C4'-P energy: -61.629 tors. eta vs tors. theta energy: -83.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1002.496190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.496190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.496190 (E_RNA) where: Base-Base interactions energy: -652.351 where: short stacking energy: -281.494 Base-Backbone interact. energy: -0.074 local terms energy: -350.071451 where: bonds (distance) C4'-P energy: -75.495 bonds (distance) P-C4' energy: -77.488 flat angles C4'-P-C4' energy: -76.989 flat angles P-C4'-P energy: -57.740 tors. eta vs tors. theta energy: -62.360 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: 1 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -803.464028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.464028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.464028 (E_RNA) where: Base-Base interactions energy: -450.161 where: short stacking energy: -218.525 Base-Backbone interact. energy: -1.310 local terms energy: -351.993368 where: bonds (distance) C4'-P energy: -72.597 bonds (distance) P-C4' energy: -90.128 flat angles C4'-P-C4' energy: -89.985 flat angles P-C4'-P energy: -50.035 tors. eta vs tors. theta energy: -49.248 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: 9, replica: 6 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -646.823462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.823462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.823462 (E_RNA) where: Base-Base interactions energy: -395.249 where: short stacking energy: -206.220 Base-Backbone interact. energy: 1.524 local terms energy: -253.098551 where: bonds (distance) C4'-P energy: -62.365 bonds (distance) P-C4' energy: -73.835 flat angles C4'-P-C4' energy: -69.803 flat angles P-C4'-P energy: -23.181 tors. eta vs tors. theta energy: -23.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -462.767578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.767578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.767578 (E_RNA) where: Base-Base interactions energy: -248.236 where: short stacking energy: -118.560 Base-Backbone interact. energy: 6.110 local terms energy: -220.641061 where: bonds (distance) C4'-P energy: -78.945 bonds (distance) P-C4' energy: -71.678 flat angles C4'-P-C4' energy: -55.968 flat angles P-C4'-P energy: -27.966 tors. eta vs tors. theta energy: 13.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1477.402992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.402992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.402992 (E_RNA) where: Base-Base interactions energy: -991.839 where: short stacking energy: -447.609 Base-Backbone interact. energy: 1.799 local terms energy: -487.363812 where: bonds (distance) C4'-P energy: -89.247 bonds (distance) P-C4' energy: -89.241 flat angles C4'-P-C4' energy: -104.452 flat angles P-C4'-P energy: -79.150 tors. eta vs tors. theta energy: -125.273 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: 26 Temperature: 0.950000 Total energy: -1440.760007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.760007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.760007 (E_RNA) where: Base-Base interactions energy: -956.735 where: short stacking energy: -462.870 Base-Backbone interact. energy: -3.622 local terms energy: -480.402521 where: bonds (distance) C4'-P energy: -85.943 bonds (distance) P-C4' energy: -101.586 flat angles C4'-P-C4' energy: -104.827 flat angles P-C4'-P energy: -62.314 tors. eta vs tors. theta energy: -125.733 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: 7 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1392.129547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.129547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.129547 (E_RNA) where: Base-Base interactions energy: -930.278 where: short stacking energy: -418.844 Base-Backbone interact. energy: -1.913 local terms energy: -459.938577 where: bonds (distance) C4'-P energy: -97.380 bonds (distance) P-C4' energy: -99.677 flat angles C4'-P-C4' energy: -87.564 flat angles P-C4'-P energy: -60.276 tors. eta vs tors. theta energy: -115.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1209.845292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.845292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.845292 (E_RNA) where: Base-Base interactions energy: -803.922 where: short stacking energy: -345.653 Base-Backbone interact. energy: -1.477 local terms energy: -404.446647 where: bonds (distance) C4'-P energy: -87.385 bonds (distance) P-C4' energy: -69.806 flat angles C4'-P-C4' energy: -89.216 flat angles P-C4'-P energy: -72.298 tors. eta vs tors. theta energy: -85.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1276.873164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.873164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.873164 (E_RNA) where: Base-Base interactions energy: -827.088 where: short stacking energy: -389.222 Base-Backbone interact. energy: 0.528 local terms energy: -450.313881 where: bonds (distance) C4'-P energy: -84.702 bonds (distance) P-C4' energy: -91.459 flat angles C4'-P-C4' energy: -101.607 flat angles P-C4'-P energy: -73.436 tors. eta vs tors. theta energy: -99.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1122.506252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.506252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.506252 (E_RNA) where: Base-Base interactions energy: -729.734 where: short stacking energy: -291.646 Base-Backbone interact. energy: -2.452 local terms energy: -390.320028 where: bonds (distance) C4'-P energy: -92.433 bonds (distance) P-C4' energy: -81.657 flat angles C4'-P-C4' energy: -94.370 flat angles P-C4'-P energy: -62.512 tors. eta vs tors. theta energy: -59.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1044.158631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.158631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.158631 (E_RNA) where: Base-Base interactions energy: -676.383 where: short stacking energy: -299.859 Base-Backbone interact. energy: 1.715 local terms energy: -369.490571 where: bonds (distance) C4'-P energy: -82.675 bonds (distance) P-C4' energy: -88.143 flat angles C4'-P-C4' energy: -80.473 flat angles P-C4'-P energy: -38.857 tors. eta vs tors. theta energy: -79.343 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: 1 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -813.158323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.158323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.158323 (E_RNA) where: Base-Base interactions energy: -462.324 where: short stacking energy: -234.801 Base-Backbone interact. energy: -2.247 local terms energy: -348.587393 where: bonds (distance) C4'-P energy: -86.185 bonds (distance) P-C4' energy: -93.301 flat angles C4'-P-C4' energy: -76.657 flat angles P-C4'-P energy: -57.988 tors. eta vs tors. theta energy: -34.457 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: 6 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -651.244053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.244053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.244053 (E_RNA) where: Base-Base interactions energy: -349.137 where: short stacking energy: -181.137 Base-Backbone interact. energy: -2.000 local terms energy: -300.106839 where: bonds (distance) C4'-P energy: -78.849 bonds (distance) P-C4' energy: -79.142 flat angles C4'-P-C4' energy: -86.766 flat angles P-C4'-P energy: -41.632 tors. eta vs tors. theta energy: -13.717 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: 9 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -462.541332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.541332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.541332 (E_RNA) where: Base-Base interactions energy: -229.201 where: short stacking energy: -146.088 Base-Backbone interact. energy: 2.672 local terms energy: -236.012342 where: bonds (distance) C4'-P energy: -69.571 bonds (distance) P-C4' energy: -80.933 flat angles C4'-P-C4' energy: -73.549 flat angles P-C4'-P energy: -26.719 tors. eta vs tors. theta energy: 14.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1466.970702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.970702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.970702 (E_RNA) where: Base-Base interactions energy: -961.152 where: short stacking energy: -455.240 Base-Backbone interact. energy: -2.541 local terms energy: -503.277375 where: bonds (distance) C4'-P energy: -88.287 bonds (distance) P-C4' energy: -109.365 flat angles C4'-P-C4' energy: -102.258 flat angles P-C4'-P energy: -65.001 tors. eta vs tors. theta energy: -138.367 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: 27 Temperature: 0.950000 Total energy: -1480.614751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.614751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.614751 (E_RNA) where: Base-Base interactions energy: -975.908 where: short stacking energy: -447.436 Base-Backbone interact. energy: -2.151 local terms energy: -502.555865 where: bonds (distance) C4'-P energy: -99.009 bonds (distance) P-C4' energy: -100.990 flat angles C4'-P-C4' energy: -102.572 flat angles P-C4'-P energy: -71.180 tors. eta vs tors. theta energy: -128.804 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: 7 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1420.668194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.668194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.668194 (E_RNA) where: Base-Base interactions energy: -939.160 where: short stacking energy: -419.825 Base-Backbone interact. energy: -0.548 local terms energy: -480.959406 where: bonds (distance) C4'-P energy: -93.053 bonds (distance) P-C4' energy: -93.658 flat angles C4'-P-C4' energy: -99.273 flat angles P-C4'-P energy: -73.709 tors. eta vs tors. theta energy: -121.267 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: 2 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1305.006940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.006940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.006940 (E_RNA) where: Base-Base interactions energy: -844.811 where: short stacking energy: -380.954 Base-Backbone interact. energy: 1.965 local terms energy: -462.161313 where: bonds (distance) C4'-P energy: -92.556 bonds (distance) P-C4' energy: -88.631 flat angles C4'-P-C4' energy: -104.022 flat angles P-C4'-P energy: -72.931 tors. eta vs tors. theta energy: -104.021 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: 4 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1213.056300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.056300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.056300 (E_RNA) where: Base-Base interactions energy: -797.851 where: short stacking energy: -340.761 Base-Backbone interact. energy: -1.932 local terms energy: -413.273510 where: bonds (distance) C4'-P energy: -86.645 bonds (distance) P-C4' energy: -94.703 flat angles C4'-P-C4' energy: -97.445 flat angles P-C4'-P energy: -46.037 tors. eta vs tors. theta energy: -88.443 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: 5 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1108.258869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.258869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.258869 (E_RNA) where: Base-Base interactions energy: -723.189 where: short stacking energy: -317.120 Base-Backbone interact. energy: 2.026 local terms energy: -387.095981 where: bonds (distance) C4'-P energy: -89.588 bonds (distance) P-C4' energy: -83.166 flat angles C4'-P-C4' energy: -86.040 flat angles P-C4'-P energy: -55.564 tors. eta vs tors. theta energy: -72.736 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: 10 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1100.181331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.181331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.181331 (E_RNA) where: Base-Base interactions energy: -707.292 where: short stacking energy: -324.996 Base-Backbone interact. energy: -1.067 local terms energy: -391.821658 where: bonds (distance) C4'-P energy: -73.475 bonds (distance) P-C4' energy: -86.754 flat angles C4'-P-C4' energy: -100.831 flat angles P-C4'-P energy: -46.353 tors. eta vs tors. theta energy: -84.407 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: 27 Temperature: 1.250000 Total energy: -740.728862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.728862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.728862 (E_RNA) where: Base-Base interactions energy: -415.106 where: short stacking energy: -219.742 Base-Backbone interact. energy: -0.561 local terms energy: -325.061981 where: bonds (distance) C4'-P energy: -70.915 bonds (distance) P-C4' energy: -80.763 flat angles C4'-P-C4' energy: -93.135 flat angles P-C4'-P energy: -52.489 tors. eta vs tors. theta energy: -27.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -630.138476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.138476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.138476 (E_RNA) where: Base-Base interactions energy: -344.418 where: short stacking energy: -182.521 Base-Backbone interact. energy: 0.145 local terms energy: -285.865746 where: bonds (distance) C4'-P energy: -80.977 bonds (distance) P-C4' energy: -81.848 flat angles C4'-P-C4' energy: -76.955 flat angles P-C4'-P energy: -37.231 tors. eta vs tors. theta energy: -8.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -483.017836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.017836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.017836 (E_RNA) where: Base-Base interactions energy: -230.352 where: short stacking energy: -125.649 Base-Backbone interact. energy: 0.952 local terms energy: -253.618271 where: bonds (distance) C4'-P energy: -67.879 bonds (distance) P-C4' energy: -69.668 flat angles C4'-P-C4' energy: -81.239 flat angles P-C4'-P energy: -50.826 tors. eta vs tors. theta energy: 15.993 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: 1, replica: 3 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1451.075235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.075235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.075235 (E_RNA) where: Base-Base interactions energy: -973.596 where: short stacking energy: -414.889 Base-Backbone interact. energy: -4.144 local terms energy: -473.335225 where: bonds (distance) C4'-P energy: -81.985 bonds (distance) P-C4' energy: -91.173 flat angles C4'-P-C4' energy: -110.309 flat angles P-C4'-P energy: -74.549 tors. eta vs tors. theta energy: -115.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1476.779285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.779285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.779285 (E_RNA) where: Base-Base interactions energy: -982.447 where: short stacking energy: -449.859 Base-Backbone interact. energy: -1.825 local terms energy: -492.507256 where: bonds (distance) C4'-P energy: -101.031 bonds (distance) P-C4' energy: -94.907 flat angles C4'-P-C4' energy: -102.354 flat angles P-C4'-P energy: -68.048 tors. eta vs tors. theta energy: -126.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1397.171857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.171857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.171857 (E_RNA) where: Base-Base interactions energy: -936.613 where: short stacking energy: -407.685 Base-Backbone interact. energy: -0.793 local terms energy: -459.766692 where: bonds (distance) C4'-P energy: -92.274 bonds (distance) P-C4' energy: -96.765 flat angles C4'-P-C4' energy: -105.125 flat angles P-C4'-P energy: -43.885 tors. eta vs tors. theta energy: -121.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1327.532457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.532457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.532457 (E_RNA) where: Base-Base interactions energy: -891.676 where: short stacking energy: -398.325 Base-Backbone interact. energy: 8.423 local terms energy: -444.278631 where: bonds (distance) C4'-P energy: -91.911 bonds (distance) P-C4' energy: -85.549 flat angles C4'-P-C4' energy: -98.855 flat angles P-C4'-P energy: -53.027 tors. eta vs tors. theta energy: -114.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1248.898152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.898152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.898152 (E_RNA) where: Base-Base interactions energy: -821.948 where: short stacking energy: -374.129 Base-Backbone interact. energy: 0.673 local terms energy: -427.622736 where: bonds (distance) C4'-P energy: -84.790 bonds (distance) P-C4' energy: -97.519 flat angles C4'-P-C4' energy: -101.525 flat angles P-C4'-P energy: -51.012 tors. eta vs tors. theta energy: -92.777 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: 5 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1086.966368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.966368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.966368 (E_RNA) where: Base-Base interactions energy: -681.271 where: short stacking energy: -319.292 Base-Backbone interact. energy: 2.797 local terms energy: -408.492463 where: bonds (distance) C4'-P energy: -84.361 bonds (distance) P-C4' energy: -93.740 flat angles C4'-P-C4' energy: -98.291 flat angles P-C4'-P energy: -61.040 tors. eta vs tors. theta energy: -71.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1063.683388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.683388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.683388 (E_RNA) where: Base-Base interactions energy: -675.325 where: short stacking energy: -295.296 Base-Backbone interact. energy: -0.096 local terms energy: -388.261794 where: bonds (distance) C4'-P energy: -93.599 bonds (distance) P-C4' energy: -80.081 flat angles C4'-P-C4' energy: -86.285 flat angles P-C4'-P energy: -53.365 tors. eta vs tors. theta energy: -74.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -755.567845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.567845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.567845 (E_RNA) where: Base-Base interactions energy: -423.407 where: short stacking energy: -222.663 Base-Backbone interact. energy: -0.991 local terms energy: -331.170652 where: bonds (distance) C4'-P energy: -88.978 bonds (distance) P-C4' energy: -78.162 flat angles C4'-P-C4' energy: -72.747 flat angles P-C4'-P energy: -56.690 tors. eta vs tors. theta energy: -34.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -626.340963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.340963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.340963 (E_RNA) where: Base-Base interactions energy: -351.045 where: short stacking energy: -189.195 Base-Backbone interact. energy: -1.248 local terms energy: -274.047425 where: bonds (distance) C4'-P energy: -70.748 bonds (distance) P-C4' energy: -79.530 flat angles C4'-P-C4' energy: -66.651 flat angles P-C4'-P energy: -48.126 tors. eta vs tors. theta energy: -8.993 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: 9 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -512.479562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.479562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.479562 (E_RNA) where: Base-Base interactions energy: -275.715 where: short stacking energy: -159.148 Base-Backbone interact. energy: 5.455 local terms energy: -242.219316 where: bonds (distance) C4'-P energy: -66.114 bonds (distance) P-C4' energy: -77.653 flat angles C4'-P-C4' energy: -60.048 flat angles P-C4'-P energy: -39.480 tors. eta vs tors. theta energy: 1.077 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: 3 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1483.022663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.022663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.022663 (E_RNA) where: Base-Base interactions energy: -1000.435 where: short stacking energy: -409.971 Base-Backbone interact. energy: -0.435 local terms energy: -482.152191 where: bonds (distance) C4'-P energy: -100.755 bonds (distance) P-C4' energy: -92.870 flat angles C4'-P-C4' energy: -106.728 flat angles P-C4'-P energy: -67.946 tors. eta vs tors. theta energy: -113.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1467.767350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.767350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.767350 (E_RNA) where: Base-Base interactions energy: -973.926 where: short stacking energy: -450.619 Base-Backbone interact. energy: -2.523 local terms energy: -491.317535 where: bonds (distance) C4'-P energy: -89.596 bonds (distance) P-C4' energy: -105.467 flat angles C4'-P-C4' energy: -106.810 flat angles P-C4'-P energy: -65.728 tors. eta vs tors. theta energy: -123.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1415.443595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.443595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.443595 (E_RNA) where: Base-Base interactions energy: -960.972 where: short stacking energy: -410.932 Base-Backbone interact. energy: -0.662 local terms energy: -453.809187 where: bonds (distance) C4'-P energy: -92.009 bonds (distance) P-C4' energy: -89.533 flat angles C4'-P-C4' energy: -97.873 flat angles P-C4'-P energy: -59.982 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: 4, replica: 2 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1331.129716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.129716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.129716 (E_RNA) where: Base-Base interactions energy: -875.268 where: short stacking energy: -406.667 Base-Backbone interact. energy: 2.210 local terms energy: -458.072024 where: bonds (distance) C4'-P energy: -92.618 bonds (distance) P-C4' energy: -93.220 flat angles C4'-P-C4' energy: -94.500 flat angles P-C4'-P energy: -67.014 tors. eta vs tors. theta energy: -110.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1266.529660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.529660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.529660 (E_RNA) where: Base-Base interactions energy: -842.039 where: short stacking energy: -342.860 Base-Backbone interact. energy: 0.714 local terms energy: -425.204956 where: bonds (distance) C4'-P energy: -76.327 bonds (distance) P-C4' energy: -95.852 flat angles C4'-P-C4' energy: -107.132 flat angles P-C4'-P energy: -52.500 tors. eta vs tors. theta energy: -93.394 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: 10 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1167.115498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.115498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.115498 (E_RNA) where: Base-Base interactions energy: -786.586 where: short stacking energy: -340.069 Base-Backbone interact. energy: 4.543 local terms energy: -385.072554 where: bonds (distance) C4'-P energy: -80.196 bonds (distance) P-C4' energy: -84.795 flat angles C4'-P-C4' energy: -80.773 flat angles P-C4'-P energy: -60.466 tors. eta vs tors. theta energy: -78.843 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: 5 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1036.475254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.475254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.475254 (E_RNA) where: Base-Base interactions energy: -676.356 where: short stacking energy: -294.073 Base-Backbone interact. energy: -2.605 local terms energy: -357.514470 where: bonds (distance) C4'-P energy: -81.039 bonds (distance) P-C4' energy: -88.914 flat angles C4'-P-C4' energy: -87.830 flat angles P-C4'-P energy: -39.693 tors. eta vs tors. theta energy: -60.039 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: 8, replica: 1 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -743.139439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.139439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.139439 (E_RNA) where: Base-Base interactions energy: -432.767 where: short stacking energy: -228.037 Base-Backbone interact. energy: 2.394 local terms energy: -312.766604 where: bonds (distance) C4'-P energy: -73.967 bonds (distance) P-C4' energy: -86.968 flat angles C4'-P-C4' energy: -81.546 flat angles P-C4'-P energy: -47.316 tors. eta vs tors. theta energy: -22.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -624.441768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.441768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.441768 (E_RNA) where: Base-Base interactions energy: -326.513 where: short stacking energy: -170.943 Base-Backbone interact. energy: 0.063 local terms energy: -297.991419 where: bonds (distance) C4'-P energy: -84.950 bonds (distance) P-C4' energy: -83.788 flat angles C4'-P-C4' energy: -84.778 flat angles P-C4'-P energy: -47.749 tors. eta vs tors. theta energy: 3.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -530.876977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.876977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.876977 (E_RNA) where: Base-Base interactions energy: -244.454 where: short stacking energy: -175.767 Base-Backbone interact. energy: -1.343 local terms energy: -285.079945 where: bonds (distance) C4'-P energy: -59.595 bonds (distance) P-C4' energy: -78.035 flat angles C4'-P-C4' energy: -85.683 flat angles P-C4'-P energy: -40.598 tors. eta vs tors. theta energy: -21.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1486.438811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.438811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.438811 (E_RNA) where: Base-Base interactions energy: -967.236 where: short stacking energy: -428.965 Base-Backbone interact. energy: -5.156 local terms energy: -514.045982 where: bonds (distance) C4'-P energy: -95.918 bonds (distance) P-C4' energy: -107.409 flat angles C4'-P-C4' energy: -108.375 flat angles P-C4'-P energy: -74.752 tors. eta vs tors. theta energy: -127.593 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: 8 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1468.863572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.863572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.863572 (E_RNA) where: Base-Base interactions energy: -967.776 where: short stacking energy: -458.965 Base-Backbone interact. energy: -1.945 local terms energy: -499.141945 where: bonds (distance) C4'-P energy: -88.703 bonds (distance) P-C4' energy: -102.989 flat angles C4'-P-C4' energy: -111.497 flat angles P-C4'-P energy: -71.699 tors. eta vs tors. theta energy: -124.254 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: 7 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1423.641823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.641823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.641823 (E_RNA) where: Base-Base interactions energy: -980.313 where: short stacking energy: -426.330 Base-Backbone interact. energy: 0.172 local terms energy: -443.500094 where: bonds (distance) C4'-P energy: -81.650 bonds (distance) P-C4' energy: -89.439 flat angles C4'-P-C4' energy: -108.145 flat angles P-C4'-P energy: -48.550 tors. eta vs tors. theta energy: -115.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1391.442089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.442089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.442089 (E_RNA) where: Base-Base interactions energy: -919.006 where: short stacking energy: -426.926 Base-Backbone interact. energy: -1.688 local terms energy: -470.748330 where: bonds (distance) C4'-P energy: -100.154 bonds (distance) P-C4' energy: -85.746 flat angles C4'-P-C4' energy: -100.794 flat angles P-C4'-P energy: -62.934 tors. eta vs tors. theta energy: -121.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1262.988209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.988209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.988209 (E_RNA) where: Base-Base interactions energy: -860.790 where: short stacking energy: -362.696 Base-Backbone interact. energy: -2.203 local terms energy: -399.995224 where: bonds (distance) C4'-P energy: -79.483 bonds (distance) P-C4' energy: -74.773 flat angles C4'-P-C4' energy: -92.824 flat angles P-C4'-P energy: -55.155 tors. eta vs tors. theta energy: -97.760 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: 10 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1148.673739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.673739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.673739 (E_RNA) where: Base-Base interactions energy: -755.050 where: short stacking energy: -330.334 Base-Backbone interact. energy: -2.944 local terms energy: -390.679513 where: bonds (distance) C4'-P energy: -88.558 bonds (distance) P-C4' energy: -72.198 flat angles C4'-P-C4' energy: -96.391 flat angles P-C4'-P energy: -46.491 tors. eta vs tors. theta energy: -87.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -985.888237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.888237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.888237 (E_RNA) where: Base-Base interactions energy: -629.180 where: short stacking energy: -297.957 Base-Backbone interact. energy: -0.244 local terms energy: -356.464681 where: bonds (distance) C4'-P energy: -79.200 bonds (distance) P-C4' energy: -77.385 flat angles C4'-P-C4' energy: -92.830 flat angles P-C4'-P energy: -58.286 tors. eta vs tors. theta energy: -48.764 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: 8, replica: 1 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -712.462514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.462514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.462514 (E_RNA) where: Base-Base interactions energy: -411.863 where: short stacking energy: -200.541 Base-Backbone interact. energy: 4.531 local terms energy: -305.130559 where: bonds (distance) C4'-P energy: -81.617 bonds (distance) P-C4' energy: -78.311 flat angles C4'-P-C4' energy: -62.066 flat angles P-C4'-P energy: -49.831 tors. eta vs tors. theta energy: -33.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -612.723273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.723273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.723273 (E_RNA) where: Base-Base interactions energy: -323.917 where: short stacking energy: -169.306 Base-Backbone interact. energy: -3.162 local terms energy: -285.644168 where: bonds (distance) C4'-P energy: -65.877 bonds (distance) P-C4' energy: -78.700 flat angles C4'-P-C4' energy: -73.461 flat angles P-C4'-P energy: -52.706 tors. eta vs tors. theta energy: -14.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -487.109551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.109551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.109551 (E_RNA) where: Base-Base interactions energy: -207.088 where: short stacking energy: -134.133 Base-Backbone interact. energy: 1.357 local terms energy: -281.378196 where: bonds (distance) C4'-P energy: -87.282 bonds (distance) P-C4' energy: -85.433 flat angles C4'-P-C4' energy: -73.470 flat angles P-C4'-P energy: -38.156 tors. eta vs tors. theta energy: 2.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1516.456348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.456348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.456348 (E_RNA) where: Base-Base interactions energy: -1033.154 where: short stacking energy: -465.753 Base-Backbone interact. energy: 0.867 local terms energy: -484.169976 where: bonds (distance) C4'-P energy: -98.329 bonds (distance) P-C4' energy: -96.029 flat angles C4'-P-C4' energy: -109.327 flat angles P-C4'-P energy: -56.089 tors. eta vs tors. theta energy: -124.396 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: 2, replica: 7 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1483.080709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.080709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.080709 (E_RNA) where: Base-Base interactions energy: -1008.716 where: short stacking energy: -429.381 Base-Backbone interact. energy: -1.813 local terms energy: -472.551584 where: bonds (distance) C4'-P energy: -94.633 bonds (distance) P-C4' energy: -112.611 flat angles C4'-P-C4' energy: -97.357 flat angles P-C4'-P energy: -54.535 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: 3, replica: 8 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1470.645746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.645746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.645746 (E_RNA) where: Base-Base interactions energy: -986.837 where: short stacking energy: -459.035 Base-Backbone interact. energy: -2.767 local terms energy: -481.041852 where: bonds (distance) C4'-P energy: -88.811 bonds (distance) P-C4' energy: -96.109 flat angles C4'-P-C4' energy: -100.547 flat angles P-C4'-P energy: -74.320 tors. eta vs tors. theta energy: -121.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1369.879215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.879215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.879215 (E_RNA) where: Base-Base interactions energy: -911.219 where: short stacking energy: -408.246 Base-Backbone interact. energy: 1.040 local terms energy: -459.700090 where: bonds (distance) C4'-P energy: -83.079 bonds (distance) P-C4' energy: -90.802 flat angles C4'-P-C4' energy: -103.946 flat angles P-C4'-P energy: -75.206 tors. eta vs tors. theta energy: -106.667 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: 4 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1231.626741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.626741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.626741 (E_RNA) where: Base-Base interactions energy: -833.061 where: short stacking energy: -344.263 Base-Backbone interact. energy: -2.282 local terms energy: -396.284042 where: bonds (distance) C4'-P energy: -92.919 bonds (distance) P-C4' energy: -90.677 flat angles C4'-P-C4' energy: -92.425 flat angles P-C4'-P energy: -46.763 tors. eta vs tors. theta energy: -73.500 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: 10 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1194.020835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.020835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.020835 (E_RNA) where: Base-Base interactions energy: -793.204 where: short stacking energy: -344.461 Base-Backbone interact. energy: -0.743 local terms energy: -400.073892 where: bonds (distance) C4'-P energy: -85.893 bonds (distance) P-C4' energy: -91.331 flat angles C4'-P-C4' energy: -89.463 flat angles P-C4'-P energy: -53.354 tors. eta vs tors. theta energy: -80.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -934.375537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.375537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.375537 (E_RNA) where: Base-Base interactions energy: -603.500 where: short stacking energy: -273.281 Base-Backbone interact. energy: 0.628 local terms energy: -331.503340 where: bonds (distance) C4'-P energy: -81.435 bonds (distance) P-C4' energy: -74.961 flat angles C4'-P-C4' energy: -84.408 flat angles P-C4'-P energy: -44.979 tors. eta vs tors. theta energy: -45.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -768.527799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.527799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.527799 (E_RNA) where: Base-Base interactions energy: -432.413 where: short stacking energy: -231.626 Base-Backbone interact. energy: -1.196 local terms energy: -334.918672 where: bonds (distance) C4'-P energy: -77.305 bonds (distance) P-C4' energy: -75.704 flat angles C4'-P-C4' energy: -86.554 flat angles P-C4'-P energy: -51.661 tors. eta vs tors. theta energy: -43.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -631.487974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.487974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.487974 (E_RNA) where: Base-Base interactions energy: -343.826 where: short stacking energy: -183.644 Base-Backbone interact. energy: -1.215 local terms energy: -286.446485 where: bonds (distance) C4'-P energy: -62.022 bonds (distance) P-C4' energy: -73.907 flat angles C4'-P-C4' energy: -73.159 flat angles P-C4'-P energy: -56.461 tors. eta vs tors. theta energy: -20.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -496.290535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.290535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.290535 (E_RNA) where: Base-Base interactions energy: -243.141 where: short stacking energy: -158.973 Base-Backbone interact. energy: -0.095 local terms energy: -253.055403 where: bonds (distance) C4'-P energy: -72.952 bonds (distance) P-C4' energy: -71.007 flat angles C4'-P-C4' energy: -62.583 flat angles P-C4'-P energy: -42.192 tors. eta vs tors. theta energy: -4.321 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: 3 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1532.993289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.993289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.993289 (E_RNA) where: Base-Base interactions energy: -1044.821 where: short stacking energy: -454.771 Base-Backbone interact. energy: -1.889 local terms energy: -486.283174 where: bonds (distance) C4'-P energy: -95.258 bonds (distance) P-C4' energy: -94.050 flat angles C4'-P-C4' energy: -98.639 flat angles P-C4'-P energy: -66.226 tors. eta vs tors. theta energy: -132.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1482.630248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.630248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.630248 (E_RNA) where: Base-Base interactions energy: -1002.467 where: short stacking energy: -411.922 Base-Backbone interact. energy: 0.820 local terms energy: -480.983231 where: bonds (distance) C4'-P energy: -97.199 bonds (distance) P-C4' energy: -95.927 flat angles C4'-P-C4' energy: -106.395 flat angles P-C4'-P energy: -69.818 tors. eta vs tors. theta energy: -111.644 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: 3, replica: 2 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1418.866542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.866542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.866542 (E_RNA) where: Base-Base interactions energy: -953.211 where: short stacking energy: -437.344 Base-Backbone interact. energy: 3.471 local terms energy: -469.126677 where: bonds (distance) C4'-P energy: -87.466 bonds (distance) P-C4' energy: -89.741 flat angles C4'-P-C4' energy: -94.957 flat angles P-C4'-P energy: -75.282 tors. eta vs tors. theta energy: -121.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1373.880519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.880519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.880519 (E_RNA) where: Base-Base interactions energy: -913.601 where: short stacking energy: -398.761 Base-Backbone interact. energy: 0.338 local terms energy: -460.616940 where: bonds (distance) C4'-P energy: -95.995 bonds (distance) P-C4' energy: -106.740 flat angles C4'-P-C4' energy: -96.183 flat angles P-C4'-P energy: -53.547 tors. eta vs tors. theta energy: -108.151 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: 10 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1212.145864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.145864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.145864 (E_RNA) where: Base-Base interactions energy: -795.931 where: short stacking energy: -355.177 Base-Backbone interact. energy: -1.628 local terms energy: -414.587439 where: bonds (distance) C4'-P energy: -78.274 bonds (distance) P-C4' energy: -84.450 flat angles C4'-P-C4' energy: -91.630 flat angles P-C4'-P energy: -66.344 tors. eta vs tors. theta energy: -93.888 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: 6, replica: 4 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1157.351961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.351961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.351961 (E_RNA) where: Base-Base interactions energy: -755.540 where: short stacking energy: -334.451 Base-Backbone interact. energy: -0.447 local terms energy: -401.365075 where: bonds (distance) C4'-P energy: -85.792 bonds (distance) P-C4' energy: -89.991 flat angles C4'-P-C4' energy: -79.618 flat angles P-C4'-P energy: -61.334 tors. eta vs tors. theta energy: -84.630 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: 5 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -965.068137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.068137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.068137 (E_RNA) where: Base-Base interactions energy: -600.528 where: short stacking energy: -274.111 Base-Backbone interact. energy: -3.221 local terms energy: -361.319051 where: bonds (distance) C4'-P energy: -90.922 bonds (distance) P-C4' energy: -92.447 flat angles C4'-P-C4' energy: -76.676 flat angles P-C4'-P energy: -55.591 tors. eta vs tors. theta energy: -45.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -752.665548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.665548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.665548 (E_RNA) where: Base-Base interactions energy: -438.531 where: short stacking energy: -218.090 Base-Backbone interact. energy: -0.846 local terms energy: -313.288431 where: bonds (distance) C4'-P energy: -71.636 bonds (distance) P-C4' energy: -80.416 flat angles C4'-P-C4' energy: -90.654 flat angles P-C4'-P energy: -43.625 tors. eta vs tors. theta energy: -26.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -573.212147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.212147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.212147 (E_RNA) where: Base-Base interactions energy: -270.258 where: short stacking energy: -163.086 Base-Backbone interact. energy: -0.295 local terms energy: -302.658798 where: bonds (distance) C4'-P energy: -77.602 bonds (distance) P-C4' energy: -83.387 flat angles C4'-P-C4' energy: -85.496 flat angles P-C4'-P energy: -42.591 tors. eta vs tors. theta energy: -13.583 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: 9 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -514.233067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.233067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.233067 (E_RNA) where: Base-Base interactions energy: -250.516 where: short stacking energy: -143.691 Base-Backbone interact. energy: -2.342 local terms energy: -261.375784 where: bonds (distance) C4'-P energy: -88.871 bonds (distance) P-C4' energy: -81.720 flat angles C4'-P-C4' energy: -57.533 flat angles P-C4'-P energy: -43.902 tors. eta vs tors. theta energy: 10.652 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: 3 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1553.142223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.142223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.142223 (E_RNA) where: Base-Base interactions energy: -1043.764 where: short stacking energy: -452.060 Base-Backbone interact. energy: -0.726 local terms energy: -508.652725 where: bonds (distance) C4'-P energy: -94.594 bonds (distance) P-C4' energy: -102.973 flat angles C4'-P-C4' energy: -108.858 flat angles P-C4'-P energy: -64.343 tors. eta vs tors. theta energy: -137.885 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: 7 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1480.424623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.424623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.424623 (E_RNA) where: Base-Base interactions energy: -999.510 where: short stacking energy: -429.781 Base-Backbone interact. energy: -0.842 local terms energy: -480.072785 where: bonds (distance) C4'-P energy: -90.076 bonds (distance) P-C4' energy: -101.909 flat angles C4'-P-C4' energy: -110.329 flat angles P-C4'-P energy: -57.383 tors. eta vs tors. theta energy: -120.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1411.875772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.875772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.875772 (E_RNA) where: Base-Base interactions energy: -943.246 where: short stacking energy: -426.459 Base-Backbone interact. energy: -0.743 local terms energy: -467.886700 where: bonds (distance) C4'-P energy: -82.910 bonds (distance) P-C4' energy: -96.813 flat angles C4'-P-C4' energy: -100.702 flat angles P-C4'-P energy: -77.686 tors. eta vs tors. theta energy: -109.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1375.879881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.879881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.879881 (E_RNA) where: Base-Base interactions energy: -919.204 where: short stacking energy: -417.205 Base-Backbone interact. energy: -3.732 local terms energy: -452.943860 where: bonds (distance) C4'-P energy: -90.601 bonds (distance) P-C4' energy: -97.890 flat angles C4'-P-C4' energy: -98.737 flat angles P-C4'-P energy: -58.221 tors. eta vs tors. theta energy: -107.496 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: 10 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1211.951717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.951717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.951717 (E_RNA) where: Base-Base interactions energy: -827.912 where: short stacking energy: -367.000 Base-Backbone interact. energy: 5.934 local terms energy: -389.973218 where: bonds (distance) C4'-P energy: -72.916 bonds (distance) P-C4' energy: -80.877 flat angles C4'-P-C4' energy: -96.915 flat angles P-C4'-P energy: -46.720 tors. eta vs tors. theta energy: -92.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1154.823295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.823295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.823295 (E_RNA) where: Base-Base interactions energy: -757.628 where: short stacking energy: -310.841 Base-Backbone interact. energy: -2.180 local terms energy: -395.015629 where: bonds (distance) C4'-P energy: -78.026 bonds (distance) P-C4' energy: -91.529 flat angles C4'-P-C4' energy: -100.193 flat angles P-C4'-P energy: -55.464 tors. eta vs tors. theta energy: -69.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -891.021346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.021346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.021346 (E_RNA) where: Base-Base interactions energy: -550.565 where: short stacking energy: -270.295 Base-Backbone interact. energy: -0.746 local terms energy: -339.709904 where: bonds (distance) C4'-P energy: -75.456 bonds (distance) P-C4' energy: -82.118 flat angles C4'-P-C4' energy: -78.268 flat angles P-C4'-P energy: -49.220 tors. eta vs tors. theta energy: -54.647 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: 1 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -757.940548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.940548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.940548 (E_RNA) where: Base-Base interactions energy: -433.205 where: short stacking energy: -201.868 Base-Backbone interact. energy: -0.878 local terms energy: -323.856954 where: bonds (distance) C4'-P energy: -84.545 bonds (distance) P-C4' energy: -75.282 flat angles C4'-P-C4' energy: -83.666 flat angles P-C4'-P energy: -44.962 tors. eta vs tors. theta energy: -35.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -594.800589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.800589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.800589 (E_RNA) where: Base-Base interactions energy: -282.119 where: short stacking energy: -166.341 Base-Backbone interact. energy: 3.692 local terms energy: -316.373780 where: bonds (distance) C4'-P energy: -77.348 bonds (distance) P-C4' energy: -90.858 flat angles C4'-P-C4' energy: -89.637 flat angles P-C4'-P energy: -53.063 tors. eta vs tors. theta energy: -5.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -512.546856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.546856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.546856 (E_RNA) where: Base-Base interactions energy: -231.931 where: short stacking energy: -163.390 Base-Backbone interact. energy: 0.142 local terms energy: -280.757367 where: bonds (distance) C4'-P energy: -75.982 bonds (distance) P-C4' energy: -97.260 flat angles C4'-P-C4' energy: -71.072 flat angles P-C4'-P energy: -28.804 tors. eta vs tors. theta energy: -7.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1559.472454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.472454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.472454 (E_RNA) where: Base-Base interactions energy: -1052.398 where: short stacking energy: -465.352 Base-Backbone interact. energy: -3.214 local terms energy: -503.861268 where: bonds (distance) C4'-P energy: -101.212 bonds (distance) P-C4' energy: -102.863 flat angles C4'-P-C4' energy: -110.324 flat angles P-C4'-P energy: -67.148 tors. eta vs tors. theta energy: -122.314 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: 7 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1466.843232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.843232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.843232 (E_RNA) where: Base-Base interactions energy: -994.078 where: short stacking energy: -416.873 Base-Backbone interact. energy: -0.263 local terms energy: -472.502200 where: bonds (distance) C4'-P energy: -90.199 bonds (distance) P-C4' energy: -94.180 flat angles C4'-P-C4' energy: -102.297 flat angles P-C4'-P energy: -68.009 tors. eta vs tors. theta energy: -117.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1427.619960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.619960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.619960 (E_RNA) where: Base-Base interactions energy: -938.495 where: short stacking energy: -437.264 Base-Backbone interact. energy: -1.372 local terms energy: -487.753113 where: bonds (distance) C4'-P energy: -95.958 bonds (distance) P-C4' energy: -104.330 flat angles C4'-P-C4' energy: -108.982 flat angles P-C4'-P energy: -59.696 tors. eta vs tors. theta energy: -118.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1397.210249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.210249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.210249 (E_RNA) where: Base-Base interactions energy: -942.514 where: short stacking energy: -403.782 Base-Backbone interact. energy: 2.382 local terms energy: -457.078046 where: bonds (distance) C4'-P energy: -89.529 bonds (distance) P-C4' energy: -97.647 flat angles C4'-P-C4' energy: -99.199 flat angles P-C4'-P energy: -56.853 tors. eta vs tors. theta energy: -113.850 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: 5, replica: 4 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1230.857284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.857284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.857284 (E_RNA) where: Base-Base interactions energy: -836.079 where: short stacking energy: -348.198 Base-Backbone interact. energy: -2.582 local terms energy: -392.196500 where: bonds (distance) C4'-P energy: -83.551 bonds (distance) P-C4' energy: -79.890 flat angles C4'-P-C4' energy: -88.030 flat angles P-C4'-P energy: -52.718 tors. eta vs tors. theta energy: -88.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1135.498906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.498906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.498906 (E_RNA) where: Base-Base interactions energy: -792.044 where: short stacking energy: -329.266 Base-Backbone interact. energy: -0.933 local terms energy: -342.521313 where: bonds (distance) C4'-P energy: -65.111 bonds (distance) P-C4' energy: -70.061 flat angles C4'-P-C4' energy: -88.293 flat angles P-C4'-P energy: -39.942 tors. eta vs tors. theta energy: -79.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -854.975652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.975652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.975652 (E_RNA) where: Base-Base interactions energy: -534.396 where: short stacking energy: -234.747 Base-Backbone interact. energy: -1.872 local terms energy: -318.708486 where: bonds (distance) C4'-P energy: -71.590 bonds (distance) P-C4' energy: -81.105 flat angles C4'-P-C4' energy: -83.091 flat angles P-C4'-P energy: -47.166 tors. eta vs tors. theta energy: -35.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -779.099148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.099148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.099148 (E_RNA) where: Base-Base interactions energy: -456.570 where: short stacking energy: -236.927 Base-Backbone interact. energy: 0.201 local terms energy: -322.730607 where: bonds (distance) C4'-P energy: -88.736 bonds (distance) P-C4' energy: -78.258 flat angles C4'-P-C4' energy: -67.260 flat angles P-C4'-P energy: -45.451 tors. eta vs tors. theta energy: -43.026 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: 6 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -687.601100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.601100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.601100 (E_RNA) where: Base-Base interactions energy: -401.090 where: short stacking energy: -194.162 Base-Backbone interact. energy: 1.307 local terms energy: -287.818025 where: bonds (distance) C4'-P energy: -92.148 bonds (distance) P-C4' energy: -72.584 flat angles C4'-P-C4' energy: -74.602 flat angles P-C4'-P energy: -43.021 tors. eta vs tors. theta energy: -5.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -492.411092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.411092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.411092 (E_RNA) where: Base-Base interactions energy: -231.653 where: short stacking energy: -153.164 Base-Backbone interact. energy: 6.047 local terms energy: -266.804318 where: bonds (distance) C4'-P energy: -73.649 bonds (distance) P-C4' energy: -79.697 flat angles C4'-P-C4' energy: -62.264 flat angles P-C4'-P energy: -49.047 tors. eta vs tors. theta energy: -2.147 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: 3 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1560.219398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.219398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.219398 (E_RNA) where: Base-Base interactions energy: -1050.885 where: short stacking energy: -454.029 Base-Backbone interact. energy: -3.361 local terms energy: -505.974204 where: bonds (distance) C4'-P energy: -101.730 bonds (distance) P-C4' energy: -94.723 flat angles C4'-P-C4' energy: -112.273 flat angles P-C4'-P energy: -72.746 tors. eta vs tors. theta energy: -124.502 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: 7 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1476.886867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.886867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.886867 (E_RNA) where: Base-Base interactions energy: -1003.075 where: short stacking energy: -419.170 Base-Backbone interact. energy: -0.411 local terms energy: -473.400918 where: bonds (distance) C4'-P energy: -92.617 bonds (distance) P-C4' energy: -93.138 flat angles C4'-P-C4' energy: -110.651 flat angles P-C4'-P energy: -63.902 tors. eta vs tors. theta energy: -113.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1453.460095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.460095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.460095 (E_RNA) where: Base-Base interactions energy: -977.660 where: short stacking energy: -465.242 Base-Backbone interact. energy: 0.239 local terms energy: -476.039599 where: bonds (distance) C4'-P energy: -80.885 bonds (distance) P-C4' energy: -96.743 flat angles C4'-P-C4' energy: -98.336 flat angles P-C4'-P energy: -70.026 tors. eta vs tors. theta energy: -130.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1403.911294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.911294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.911294 (E_RNA) where: Base-Base interactions energy: -954.619 where: short stacking energy: -410.301 Base-Backbone interact. energy: -1.636 local terms energy: -447.656045 where: bonds (distance) C4'-P energy: -85.495 bonds (distance) P-C4' energy: -91.605 flat angles C4'-P-C4' energy: -103.345 flat angles P-C4'-P energy: -67.675 tors. eta vs tors. theta energy: -99.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1223.906387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.906387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.906387 (E_RNA) where: Base-Base interactions energy: -822.439 where: short stacking energy: -340.722 Base-Backbone interact. energy: -1.422 local terms energy: -400.044983 where: bonds (distance) C4'-P energy: -75.702 bonds (distance) P-C4' energy: -92.736 flat angles C4'-P-C4' energy: -95.498 flat angles P-C4'-P energy: -56.605 tors. eta vs tors. theta energy: -79.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1104.861429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.861429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.861429 (E_RNA) where: Base-Base interactions energy: -730.925 where: short stacking energy: -342.634 Base-Backbone interact. energy: 3.488 local terms energy: -377.424220 where: bonds (distance) C4'-P energy: -64.312 bonds (distance) P-C4' energy: -83.475 flat angles C4'-P-C4' energy: -93.167 flat angles P-C4'-P energy: -65.019 tors. eta vs tors. theta energy: -71.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -847.606470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.606470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.606470 (E_RNA) where: Base-Base interactions energy: -555.559 where: short stacking energy: -257.821 Base-Backbone interact. energy: -0.376 local terms energy: -291.670880 where: bonds (distance) C4'-P energy: -69.059 bonds (distance) P-C4' energy: -84.853 flat angles C4'-P-C4' energy: -91.511 flat angles P-C4'-P energy: -24.725 tors. eta vs tors. theta energy: -21.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -839.795867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.795867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.795867 (E_RNA) where: Base-Base interactions energy: -507.365 where: short stacking energy: -237.037 Base-Backbone interact. energy: -0.838 local terms energy: -331.592199 where: bonds (distance) C4'-P energy: -74.252 bonds (distance) P-C4' energy: -84.907 flat angles C4'-P-C4' energy: -74.347 flat angles P-C4'-P energy: -51.797 tors. eta vs tors. theta energy: -46.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -677.274565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.274565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.274565 (E_RNA) where: Base-Base interactions energy: -370.685 where: short stacking energy: -193.573 Base-Backbone interact. energy: -2.085 local terms energy: -304.504768 where: bonds (distance) C4'-P energy: -77.976 bonds (distance) P-C4' energy: -86.096 flat angles C4'-P-C4' energy: -66.924 flat angles P-C4'-P energy: -55.934 tors. eta vs tors. theta energy: -17.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -482.862600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.862600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.862600 (E_RNA) where: Base-Base interactions energy: -210.526 where: short stacking energy: -139.921 Base-Backbone interact. energy: 2.396 local terms energy: -274.732023 where: bonds (distance) C4'-P energy: -75.166 bonds (distance) P-C4' energy: -77.964 flat angles C4'-P-C4' energy: -72.047 flat angles P-C4'-P energy: -43.701 tors. eta vs tors. theta energy: -5.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1579.258646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.258646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.258646 (E_RNA) where: Base-Base interactions energy: -1072.612 where: short stacking energy: -464.885 Base-Backbone interact. energy: -4.763 local terms energy: -501.884184 where: bonds (distance) C4'-P energy: -92.690 bonds (distance) P-C4' energy: -106.060 flat angles C4'-P-C4' energy: -106.468 flat angles P-C4'-P energy: -65.193 tors. eta vs tors. theta energy: -131.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1490.734863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.734863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.734863 (E_RNA) where: Base-Base interactions energy: -1020.097 where: short stacking energy: -424.993 Base-Backbone interact. energy: -1.011 local terms energy: -469.626626 where: bonds (distance) C4'-P energy: -100.678 bonds (distance) P-C4' energy: -89.260 flat angles C4'-P-C4' energy: -109.480 flat angles P-C4'-P energy: -50.249 tors. eta vs tors. theta energy: -119.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1434.457837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.457837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.457837 (E_RNA) where: Base-Base interactions energy: -962.548 where: short stacking energy: -443.591 Base-Backbone interact. energy: -3.974 local terms energy: -467.936534 where: bonds (distance) C4'-P energy: -84.468 bonds (distance) P-C4' energy: -90.892 flat angles C4'-P-C4' energy: -105.070 flat angles P-C4'-P energy: -71.898 tors. eta vs tors. theta energy: -115.609 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: 8 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1424.489162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.489162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.489162 (E_RNA) where: Base-Base interactions energy: -965.964 where: short stacking energy: -424.546 Base-Backbone interact. energy: -1.701 local terms energy: -456.824575 where: bonds (distance) C4'-P energy: -74.106 bonds (distance) P-C4' energy: -93.807 flat angles C4'-P-C4' energy: -100.051 flat angles P-C4'-P energy: -63.111 tors. eta vs tors. theta energy: -125.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1267.321027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.321027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.321027 (E_RNA) where: Base-Base interactions energy: -856.360 where: short stacking energy: -362.242 Base-Backbone interact. energy: -1.429 local terms energy: -409.532875 where: bonds (distance) C4'-P energy: -65.951 bonds (distance) P-C4' energy: -97.910 flat angles C4'-P-C4' energy: -102.166 flat angles P-C4'-P energy: -43.435 tors. eta vs tors. theta energy: -100.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1148.493550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.493550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.493550 (E_RNA) where: Base-Base interactions energy: -783.955 where: short stacking energy: -336.956 Base-Backbone interact. energy: 2.057 local terms energy: -366.595581 where: bonds (distance) C4'-P energy: -57.632 bonds (distance) P-C4' energy: -81.300 flat angles C4'-P-C4' energy: -87.785 flat angles P-C4'-P energy: -57.868 tors. eta vs tors. theta energy: -82.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -858.137029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.137029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.137029 (E_RNA) where: Base-Base interactions energy: -504.350 where: short stacking energy: -258.625 Base-Backbone interact. energy: -0.591 local terms energy: -353.196684 where: bonds (distance) C4'-P energy: -76.228 bonds (distance) P-C4' energy: -72.157 flat angles C4'-P-C4' energy: -98.033 flat angles P-C4'-P energy: -53.348 tors. eta vs tors. theta energy: -53.430 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: 5 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -779.429446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.429446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.429446 (E_RNA) where: Base-Base interactions energy: -460.054 where: short stacking energy: -248.140 Base-Backbone interact. energy: -0.247 local terms energy: -319.127527 where: bonds (distance) C4'-P energy: -61.086 bonds (distance) P-C4' energy: -79.585 flat angles C4'-P-C4' energy: -93.036 flat angles P-C4'-P energy: -47.494 tors. eta vs tors. theta energy: -37.927 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: 9, replica: 1 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -654.345508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.345508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.345508 (E_RNA) where: Base-Base interactions energy: -371.008 where: short stacking energy: -202.380 Base-Backbone interact. energy: -1.757 local terms energy: -281.580406 where: bonds (distance) C4'-P energy: -70.068 bonds (distance) P-C4' energy: -73.624 flat angles C4'-P-C4' energy: -68.041 flat angles P-C4'-P energy: -40.669 tors. eta vs tors. theta energy: -29.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -570.964606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.964606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.964606 (E_RNA) where: Base-Base interactions energy: -287.942 where: short stacking energy: -151.913 Base-Backbone interact. energy: -1.148 local terms energy: -281.874867 where: bonds (distance) C4'-P energy: -81.677 bonds (distance) P-C4' energy: -81.750 flat angles C4'-P-C4' energy: -80.665 flat angles P-C4'-P energy: -33.754 tors. eta vs tors. theta energy: -4.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1531.963764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.963764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.963764 (E_RNA) where: Base-Base interactions energy: -1033.442 where: short stacking energy: -442.590 Base-Backbone interact. energy: -2.226 local terms energy: -496.295381 where: bonds (distance) C4'-P energy: -96.642 bonds (distance) P-C4' energy: -92.655 flat angles C4'-P-C4' energy: -112.397 flat angles P-C4'-P energy: -64.262 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: 2, replica: 7 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1492.935293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.935293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.935293 (E_RNA) where: Base-Base interactions energy: -1017.734 where: short stacking energy: -441.882 Base-Backbone interact. energy: -1.302 local terms energy: -473.899280 where: bonds (distance) C4'-P energy: -109.269 bonds (distance) P-C4' energy: -88.564 flat angles C4'-P-C4' energy: -93.014 flat angles P-C4'-P energy: -69.747 tors. eta vs tors. theta energy: -113.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1478.283035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.283035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.283035 (E_RNA) where: Base-Base interactions energy: -977.312 where: short stacking energy: -446.816 Base-Backbone interact. energy: -1.956 local terms energy: -499.015055 where: bonds (distance) C4'-P energy: -92.368 bonds (distance) P-C4' energy: -106.025 flat angles C4'-P-C4' energy: -102.019 flat angles P-C4'-P energy: -68.329 tors. eta vs tors. theta energy: -130.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1440.987841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.987841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.987841 (E_RNA) where: Base-Base interactions energy: -986.296 where: short stacking energy: -420.703 Base-Backbone interact. energy: -2.269 local terms energy: -452.422500 where: bonds (distance) C4'-P energy: -93.887 bonds (distance) P-C4' energy: -84.843 flat angles C4'-P-C4' energy: -98.072 flat angles P-C4'-P energy: -59.702 tors. eta vs tors. theta energy: -115.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1251.962301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.962301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.962301 (E_RNA) where: Base-Base interactions energy: -827.471 where: short stacking energy: -355.940 Base-Backbone interact. energy: -2.426 local terms energy: -422.065668 where: bonds (distance) C4'-P energy: -84.459 bonds (distance) P-C4' energy: -87.363 flat angles C4'-P-C4' energy: -87.845 flat angles P-C4'-P energy: -60.353 tors. eta vs tors. theta energy: -102.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1142.085572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.085572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.085572 (E_RNA) where: Base-Base interactions energy: -745.983 where: short stacking energy: -328.803 Base-Backbone interact. energy: -2.142 local terms energy: -393.960425 where: bonds (distance) C4'-P energy: -82.345 bonds (distance) P-C4' energy: -80.233 flat angles C4'-P-C4' energy: -94.837 flat angles P-C4'-P energy: -64.816 tors. eta vs tors. theta energy: -71.729 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: 37 Temperature: 1.200000 Total energy: -845.196653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.196653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.196653 (E_RNA) where: Base-Base interactions energy: -490.819 where: short stacking energy: -258.251 Base-Backbone interact. energy: -0.889 local terms energy: -353.488878 where: bonds (distance) C4'-P energy: -87.282 bonds (distance) P-C4' energy: -88.584 flat angles C4'-P-C4' energy: -75.852 flat angles P-C4'-P energy: -41.398 tors. eta vs tors. theta energy: -60.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -793.806436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.806436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.806436 (E_RNA) where: Base-Base interactions energy: -493.123 where: short stacking energy: -245.339 Base-Backbone interact. energy: 1.646 local terms energy: -302.329127 where: bonds (distance) C4'-P energy: -67.251 bonds (distance) P-C4' energy: -75.161 flat angles C4'-P-C4' energy: -69.305 flat angles P-C4'-P energy: -48.067 tors. eta vs tors. theta energy: -42.545 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: 1 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -647.206939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.206939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.206939 (E_RNA) where: Base-Base interactions energy: -361.575 where: short stacking energy: -205.824 Base-Backbone interact. energy: 1.911 local terms energy: -287.542755 where: bonds (distance) C4'-P energy: -71.447 bonds (distance) P-C4' energy: -77.171 flat angles C4'-P-C4' energy: -75.649 flat angles P-C4'-P energy: -38.268 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: 10, replica: 9 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -515.228204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.228204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.228204 (E_RNA) where: Base-Base interactions energy: -261.376 where: short stacking energy: -158.728 Base-Backbone interact. energy: 8.390 local terms energy: -262.242177 where: bonds (distance) C4'-P energy: -74.958 bonds (distance) P-C4' energy: -77.764 flat angles C4'-P-C4' energy: -76.562 flat angles P-C4'-P energy: -32.988 tors. eta vs tors. theta energy: 0.030 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: 7 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1520.632076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.632076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.632076 (E_RNA) where: Base-Base interactions energy: -1025.958 where: short stacking energy: -439.188 Base-Backbone interact. energy: 0.099 local terms energy: -494.772648 where: bonds (distance) C4'-P energy: -96.687 bonds (distance) P-C4' energy: -98.523 flat angles C4'-P-C4' energy: -117.174 flat angles P-C4'-P energy: -65.438 tors. eta vs tors. theta energy: -116.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1492.211374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.211374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.211374 (E_RNA) where: Base-Base interactions energy: -1007.591 where: short stacking energy: -435.835 Base-Backbone interact. energy: -0.662 local terms energy: -483.958313 where: bonds (distance) C4'-P energy: -83.524 bonds (distance) P-C4' energy: -99.297 flat angles C4'-P-C4' energy: -107.753 flat angles P-C4'-P energy: -68.087 tors. eta vs tors. theta energy: -125.297 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: 8 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1418.595292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.595292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.595292 (E_RNA) where: Base-Base interactions energy: -948.966 where: short stacking energy: -424.028 Base-Backbone interact. energy: -1.325 local terms energy: -468.304278 where: bonds (distance) C4'-P energy: -94.152 bonds (distance) P-C4' energy: -86.454 flat angles C4'-P-C4' energy: -110.322 flat angles P-C4'-P energy: -72.638 tors. eta vs tors. theta energy: -104.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1423.675203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.675203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.675203 (E_RNA) where: Base-Base interactions energy: -979.197 where: short stacking energy: -438.586 Base-Backbone interact. energy: 0.071 local terms energy: -444.549369 where: bonds (distance) C4'-P energy: -74.396 bonds (distance) P-C4' energy: -85.845 flat angles C4'-P-C4' energy: -96.947 flat angles P-C4'-P energy: -64.939 tors. eta vs tors. theta energy: -122.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1194.803571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.803571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.803571 (E_RNA) where: Base-Base interactions energy: -777.482 where: short stacking energy: -334.716 Base-Backbone interact. energy: -1.197 local terms energy: -416.124437 where: bonds (distance) C4'-P energy: -91.976 bonds (distance) P-C4' energy: -83.728 flat angles C4'-P-C4' energy: -98.838 flat angles P-C4'-P energy: -53.379 tors. eta vs tors. theta energy: -88.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1173.672449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.672449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.672449 (E_RNA) where: Base-Base interactions energy: -799.689 where: short stacking energy: -344.880 Base-Backbone interact. energy: -1.900 local terms energy: -372.083997 where: bonds (distance) C4'-P energy: -75.930 bonds (distance) P-C4' energy: -84.142 flat angles C4'-P-C4' energy: -83.374 flat angles P-C4'-P energy: -63.008 tors. eta vs tors. theta energy: -65.630 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: 5 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -853.494140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.494140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.494140 (E_RNA) where: Base-Base interactions energy: -494.143 where: short stacking energy: -233.760 Base-Backbone interact. energy: -0.798 local terms energy: -358.553032 where: bonds (distance) C4'-P energy: -85.029 bonds (distance) P-C4' energy: -79.582 flat angles C4'-P-C4' energy: -92.013 flat angles P-C4'-P energy: -62.334 tors. eta vs tors. theta energy: -39.595 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: 38 Temperature: 1.250000 Total energy: -818.459062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.459062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.459062 (E_RNA) where: Base-Base interactions energy: -499.975 where: short stacking energy: -235.356 Base-Backbone interact. energy: 4.152 local terms energy: -322.636548 where: bonds (distance) C4'-P energy: -78.327 bonds (distance) P-C4' energy: -81.117 flat angles C4'-P-C4' energy: -73.425 flat angles P-C4'-P energy: -55.357 tors. eta vs tors. theta energy: -34.411 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: 1 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -638.253396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.253396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.253396 (E_RNA) where: Base-Base interactions energy: -371.218 where: short stacking energy: -198.249 Base-Backbone interact. energy: 0.482 local terms energy: -267.517432 where: bonds (distance) C4'-P energy: -66.976 bonds (distance) P-C4' energy: -64.619 flat angles C4'-P-C4' energy: -66.395 flat angles P-C4'-P energy: -44.764 tors. eta vs tors. theta energy: -24.764 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: 10, replica: 9 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -532.876878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.876878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.876878 (E_RNA) where: Base-Base interactions energy: -262.386 where: short stacking energy: -144.019 Base-Backbone interact. energy: 2.748 local terms energy: -273.239192 where: bonds (distance) C4'-P energy: -82.877 bonds (distance) P-C4' energy: -83.677 flat angles C4'-P-C4' energy: -64.255 flat angles P-C4'-P energy: -40.695 tors. eta vs tors. theta energy: -1.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1558.960691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.960691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.960691 (E_RNA) where: Base-Base interactions energy: -1062.678 where: short stacking energy: -458.669 Base-Backbone interact. energy: 0.351 local terms energy: -496.633403 where: bonds (distance) C4'-P energy: -100.289 bonds (distance) P-C4' energy: -94.078 flat angles C4'-P-C4' energy: -100.730 flat angles P-C4'-P energy: -72.871 tors. eta vs tors. theta energy: -128.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1470.212622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.212622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.212622 (E_RNA) where: Base-Base interactions energy: -996.709 where: short stacking energy: -441.750 Base-Backbone interact. energy: -0.071 local terms energy: -473.432758 where: bonds (distance) C4'-P energy: -95.226 bonds (distance) P-C4' energy: -90.232 flat angles C4'-P-C4' energy: -108.872 flat angles P-C4'-P energy: -60.958 tors. eta vs tors. theta energy: -118.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1414.901914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.901914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.901914 (E_RNA) where: Base-Base interactions energy: -971.592 where: short stacking energy: -424.299 Base-Backbone interact. energy: -4.283 local terms energy: -439.026875 where: bonds (distance) C4'-P energy: -88.137 bonds (distance) P-C4' energy: -90.070 flat angles C4'-P-C4' energy: -102.992 flat angles P-C4'-P energy: -57.064 tors. eta vs tors. theta energy: -100.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1432.126360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.126360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.126360 (E_RNA) where: Base-Base interactions energy: -960.586 where: short stacking energy: -446.366 Base-Backbone interact. energy: 0.186 local terms energy: -471.726223 where: bonds (distance) C4'-P energy: -83.477 bonds (distance) P-C4' energy: -93.608 flat angles C4'-P-C4' energy: -105.905 flat angles P-C4'-P energy: -62.949 tors. eta vs tors. theta energy: -125.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1214.187769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.187769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.187769 (E_RNA) where: Base-Base interactions energy: -821.571 where: short stacking energy: -356.873 Base-Backbone interact. energy: -2.468 local terms energy: -390.149353 where: bonds (distance) C4'-P energy: -75.779 bonds (distance) P-C4' energy: -67.469 flat angles C4'-P-C4' energy: -85.174 flat angles P-C4'-P energy: -65.139 tors. eta vs tors. theta energy: -96.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1179.531722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.531722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.531722 (E_RNA) where: Base-Base interactions energy: -791.083 where: short stacking energy: -361.101 Base-Backbone interact. energy: -0.427 local terms energy: -388.022191 where: bonds (distance) C4'-P energy: -60.643 bonds (distance) P-C4' energy: -94.325 flat angles C4'-P-C4' energy: -96.245 flat angles P-C4'-P energy: -52.842 tors. eta vs tors. theta energy: -83.967 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: 5 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -818.295224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.295224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.295224 (E_RNA) where: Base-Base interactions energy: -490.912 where: short stacking energy: -263.984 Base-Backbone interact. energy: -0.509 local terms energy: -326.874478 where: bonds (distance) C4'-P energy: -81.653 bonds (distance) P-C4' energy: -83.198 flat angles C4'-P-C4' energy: -82.436 flat angles P-C4'-P energy: -47.796 tors. eta vs tors. theta energy: -31.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -810.236229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.236229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.236229 (E_RNA) where: Base-Base interactions energy: -506.224 where: short stacking energy: -247.178 Base-Backbone interact. energy: 4.404 local terms energy: -308.415736 where: bonds (distance) C4'-P energy: -78.143 bonds (distance) P-C4' energy: -62.040 flat angles C4'-P-C4' energy: -89.961 flat angles P-C4'-P energy: -41.599 tors. eta vs tors. theta energy: -36.674 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: 1 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -559.697914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.697914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.697914 (E_RNA) where: Base-Base interactions energy: -277.520 where: short stacking energy: -163.863 Base-Backbone interact. energy: 0.786 local terms energy: -282.963086 where: bonds (distance) C4'-P energy: -68.433 bonds (distance) P-C4' energy: -88.267 flat angles C4'-P-C4' energy: -74.676 flat angles P-C4'-P energy: -41.979 tors. eta vs tors. theta energy: -9.607 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: 9 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -541.110583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.110583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.110583 (E_RNA) where: Base-Base interactions energy: -272.398 where: short stacking energy: -167.946 Base-Backbone interact. energy: 4.862 local terms energy: -273.574018 where: bonds (distance) C4'-P energy: -74.480 bonds (distance) P-C4' energy: -81.677 flat angles C4'-P-C4' energy: -73.946 flat angles P-C4'-P energy: -39.891 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: 7 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1560.570915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.570915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.570915 (E_RNA) where: Base-Base interactions energy: -1087.969 where: short stacking energy: -438.875 Base-Backbone interact. energy: -1.455 local terms energy: -471.147178 where: bonds (distance) C4'-P energy: -95.345 bonds (distance) P-C4' energy: -95.584 flat angles C4'-P-C4' energy: -98.816 flat angles P-C4'-P energy: -61.825 tors. eta vs tors. theta energy: -119.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1455.622148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.622148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.622148 (E_RNA) where: Base-Base interactions energy: -967.859 where: short stacking energy: -421.319 Base-Backbone interact. energy: 0.645 local terms energy: -488.408260 where: bonds (distance) C4'-P energy: -92.875 bonds (distance) P-C4' energy: -96.386 flat angles C4'-P-C4' energy: -110.706 flat angles P-C4'-P energy: -69.710 tors. eta vs tors. theta energy: -118.731 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: 3, replica: 2 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1462.721268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.721268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.721268 (E_RNA) where: Base-Base interactions energy: -975.421 where: short stacking energy: -457.335 Base-Backbone interact. energy: -0.930 local terms energy: -486.370736 where: bonds (distance) C4'-P energy: -85.847 bonds (distance) P-C4' energy: -86.850 flat angles C4'-P-C4' energy: -101.216 flat angles P-C4'-P energy: -66.524 tors. eta vs tors. theta energy: -145.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1433.069953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.069953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.069953 (E_RNA) where: Base-Base interactions energy: -964.095 where: short stacking energy: -436.941 Base-Backbone interact. energy: -2.069 local terms energy: -466.905342 where: bonds (distance) C4'-P energy: -65.627 bonds (distance) P-C4' energy: -98.487 flat angles C4'-P-C4' energy: -111.768 flat angles P-C4'-P energy: -72.718 tors. eta vs tors. theta energy: -118.306 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: 5, replica: 4 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1218.008031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.008031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.008031 (E_RNA) where: Base-Base interactions energy: -818.418 where: short stacking energy: -340.631 Base-Backbone interact. energy: -1.156 local terms energy: -398.434037 where: bonds (distance) C4'-P energy: -93.435 bonds (distance) P-C4' energy: -89.742 flat angles C4'-P-C4' energy: -93.253 flat angles P-C4'-P energy: -42.915 tors. eta vs tors. theta energy: -79.089 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: 10 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1173.403610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.403610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.403610 (E_RNA) where: Base-Base interactions energy: -785.438 where: short stacking energy: -335.195 Base-Backbone interact. energy: -2.733 local terms energy: -385.232372 where: bonds (distance) C4'-P energy: -80.725 bonds (distance) P-C4' energy: -81.282 flat angles C4'-P-C4' energy: -96.178 flat angles P-C4'-P energy: -52.281 tors. eta vs tors. theta energy: -74.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -902.041785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.041785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.041785 (E_RNA) where: Base-Base interactions energy: -551.747 where: short stacking energy: -269.888 Base-Backbone interact. energy: -0.099 local terms energy: -350.195313 where: bonds (distance) C4'-P energy: -79.553 bonds (distance) P-C4' energy: -96.756 flat angles C4'-P-C4' energy: -83.960 flat angles P-C4'-P energy: -44.809 tors. eta vs tors. theta energy: -45.118 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: 5 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -819.874637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.874637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.874637 (E_RNA) where: Base-Base interactions energy: -501.789 where: short stacking energy: -234.297 Base-Backbone interact. energy: 1.726 local terms energy: -319.811943 where: bonds (distance) C4'-P energy: -83.208 bonds (distance) P-C4' energy: -81.457 flat angles C4'-P-C4' energy: -77.103 flat angles P-C4'-P energy: -51.325 tors. eta vs tors. theta energy: -26.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -593.684088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.684088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.684088 (E_RNA) where: Base-Base interactions energy: -308.392 where: short stacking energy: -168.078 Base-Backbone interact. energy: -0.966 local terms energy: -284.326132 where: bonds (distance) C4'-P energy: -80.274 bonds (distance) P-C4' energy: -84.101 flat angles C4'-P-C4' energy: -58.952 flat angles P-C4'-P energy: -48.938 tors. eta vs tors. theta energy: -12.061 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: 9 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -475.904610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.904610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.904610 (E_RNA) where: Base-Base interactions energy: -241.382 where: short stacking energy: -138.995 Base-Backbone interact. energy: 3.616 local terms energy: -238.137903 where: bonds (distance) C4'-P energy: -86.550 bonds (distance) P-C4' energy: -82.394 flat angles C4'-P-C4' energy: -57.073 flat angles P-C4'-P energy: -27.927 tors. eta vs tors. theta energy: 15.807 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: 7 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1566.937392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.937392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.937392 (E_RNA) where: Base-Base interactions energy: -1075.768 where: short stacking energy: -416.740 Base-Backbone interact. energy: -0.631 local terms energy: -490.538023 where: bonds (distance) C4'-P energy: -96.668 bonds (distance) P-C4' energy: -91.619 flat angles C4'-P-C4' energy: -113.478 flat angles P-C4'-P energy: -63.167 tors. eta vs tors. theta energy: -125.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1530.594612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.594612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.594612 (E_RNA) where: Base-Base interactions energy: -1020.376 where: short stacking energy: -477.984 Base-Backbone interact. energy: -1.011 local terms energy: -509.207094 where: bonds (distance) C4'-P energy: -102.654 bonds (distance) P-C4' energy: -94.996 flat angles C4'-P-C4' energy: -104.828 flat angles P-C4'-P energy: -73.508 tors. eta vs tors. theta energy: -133.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1398.139539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.139539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.139539 (E_RNA) where: Base-Base interactions energy: -927.465 where: short stacking energy: -412.097 Base-Backbone interact. energy: -5.265 local terms energy: -465.409625 where: bonds (distance) C4'-P energy: -89.276 bonds (distance) P-C4' energy: -94.722 flat angles C4'-P-C4' energy: -102.749 flat angles P-C4'-P energy: -68.583 tors. eta vs tors. theta energy: -110.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1367.034940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.034940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.034940 (E_RNA) where: Base-Base interactions energy: -937.789 where: short stacking energy: -406.103 Base-Backbone interact. energy: 1.761 local terms energy: -431.006901 where: bonds (distance) C4'-P energy: -81.283 bonds (distance) P-C4' energy: -92.938 flat angles C4'-P-C4' energy: -110.318 flat angles P-C4'-P energy: -48.814 tors. eta vs tors. theta energy: -97.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1251.978268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.978268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.978268 (E_RNA) where: Base-Base interactions energy: -853.146 where: short stacking energy: -373.930 Base-Backbone interact. energy: -1.056 local terms energy: -397.776814 where: bonds (distance) C4'-P energy: -75.841 bonds (distance) P-C4' energy: -84.706 flat angles C4'-P-C4' energy: -79.455 flat angles P-C4'-P energy: -61.644 tors. eta vs tors. theta energy: -96.130 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: 10 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1178.590775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.590775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.590775 (E_RNA) where: Base-Base interactions energy: -794.464 where: short stacking energy: -353.864 Base-Backbone interact. energy: -1.515 local terms energy: -382.611108 where: bonds (distance) C4'-P energy: -74.819 bonds (distance) P-C4' energy: -98.719 flat angles C4'-P-C4' energy: -84.144 flat angles P-C4'-P energy: -42.559 tors. eta vs tors. theta energy: -82.370 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: 6 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -945.298668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.298668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.298668 (E_RNA) where: Base-Base interactions energy: -565.032 where: short stacking energy: -297.097 Base-Backbone interact. energy: -1.814 local terms energy: -378.453532 where: bonds (distance) C4'-P energy: -75.583 bonds (distance) P-C4' energy: -80.584 flat angles C4'-P-C4' energy: -90.679 flat angles P-C4'-P energy: -59.563 tors. eta vs tors. theta energy: -72.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -837.384018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.384018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.384018 (E_RNA) where: Base-Base interactions energy: -525.178 where: short stacking energy: -250.189 Base-Backbone interact. energy: 5.999 local terms energy: -318.205029 where: bonds (distance) C4'-P energy: -67.993 bonds (distance) P-C4' energy: -88.591 flat angles C4'-P-C4' energy: -67.944 flat angles P-C4'-P energy: -50.362 tors. eta vs tors. theta energy: -43.315 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: 1 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -588.775901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.775901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.775901 (E_RNA) where: Base-Base interactions energy: -316.487 where: short stacking energy: -159.427 Base-Backbone interact. energy: 7.636 local terms energy: -279.925187 where: bonds (distance) C4'-P energy: -86.223 bonds (distance) P-C4' energy: -85.732 flat angles C4'-P-C4' energy: -64.135 flat angles P-C4'-P energy: -35.696 tors. eta vs tors. theta energy: -8.140 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: 9 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -486.274624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.274624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.274624 (E_RNA) where: Base-Base interactions energy: -236.863 where: short stacking energy: -118.426 Base-Backbone interact. energy: -1.674 local terms energy: -247.738287 where: bonds (distance) C4'-P energy: -80.357 bonds (distance) P-C4' energy: -95.430 flat angles C4'-P-C4' energy: -54.344 flat angles P-C4'-P energy: -34.343 tors. eta vs tors. theta energy: 16.736 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: 7 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1576.463971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.463971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.463971 (E_RNA) where: Base-Base interactions energy: -1114.573 where: short stacking energy: -451.594 Base-Backbone interact. energy: -2.377 local terms energy: -459.514055 where: bonds (distance) C4'-P energy: -85.893 bonds (distance) P-C4' energy: -94.740 flat angles C4'-P-C4' energy: -97.865 flat angles P-C4'-P energy: -65.807 tors. eta vs tors. theta energy: -115.209 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: 2 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1490.910212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.910212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.910212 (E_RNA) where: Base-Base interactions energy: -992.331 where: short stacking energy: -431.689 Base-Backbone interact. energy: -1.081 local terms energy: -497.498918 where: bonds (distance) C4'-P energy: -92.868 bonds (distance) P-C4' energy: -95.337 flat angles C4'-P-C4' energy: -97.081 flat angles P-C4'-P energy: -74.872 tors. eta vs tors. theta energy: -137.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1443.947298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.947298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.947298 (E_RNA) where: Base-Base interactions energy: -981.282 where: short stacking energy: -426.627 Base-Backbone interact. energy: 1.110 local terms energy: -463.775428 where: bonds (distance) C4'-P energy: -92.362 bonds (distance) P-C4' energy: -86.170 flat angles C4'-P-C4' energy: -97.884 flat angles P-C4'-P energy: -71.503 tors. eta vs tors. theta energy: -115.857 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: 4, replica: 3 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1365.860540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.860540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.860540 (E_RNA) where: Base-Base interactions energy: -924.016 where: short stacking energy: -406.328 Base-Backbone interact. energy: -3.934 local terms energy: -437.910911 where: bonds (distance) C4'-P energy: -76.449 bonds (distance) P-C4' energy: -103.749 flat angles C4'-P-C4' energy: -92.489 flat angles P-C4'-P energy: -65.710 tors. eta vs tors. theta energy: -99.514 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: 4 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1237.049340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.049340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.049340 (E_RNA) where: Base-Base interactions energy: -812.321 where: short stacking energy: -343.407 Base-Backbone interact. energy: -1.062 local terms energy: -423.666375 where: bonds (distance) C4'-P energy: -97.639 bonds (distance) P-C4' energy: -86.904 flat angles C4'-P-C4' energy: -85.057 flat angles P-C4'-P energy: -64.738 tors. eta vs tors. theta energy: -89.327 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: 6, replica: 10 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1222.699748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.699748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.699748 (E_RNA) where: Base-Base interactions energy: -809.194 where: short stacking energy: -350.213 Base-Backbone interact. energy: -0.106 local terms energy: -413.400207 where: bonds (distance) C4'-P energy: -87.734 bonds (distance) P-C4' energy: -86.077 flat angles C4'-P-C4' energy: -99.835 flat angles P-C4'-P energy: -53.488 tors. eta vs tors. theta energy: -86.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -964.263349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.263349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.263349 (E_RNA) where: Base-Base interactions energy: -587.149 where: short stacking energy: -276.906 Base-Backbone interact. energy: -1.845 local terms energy: -375.269472 where: bonds (distance) C4'-P energy: -83.465 bonds (distance) P-C4' energy: -87.658 flat angles C4'-P-C4' energy: -86.399 flat angles P-C4'-P energy: -53.118 tors. eta vs tors. theta energy: -64.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -829.218805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.218805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.218805 (E_RNA) where: Base-Base interactions energy: -500.279 where: short stacking energy: -247.251 Base-Backbone interact. energy: -2.625 local terms energy: -326.314820 where: bonds (distance) C4'-P energy: -84.720 bonds (distance) P-C4' energy: -68.809 flat angles C4'-P-C4' energy: -81.143 flat angles P-C4'-P energy: -60.319 tors. eta vs tors. theta energy: -31.323 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: 1 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -572.319921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.319921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.319921 (E_RNA) where: Base-Base interactions energy: -312.549 where: short stacking energy: -205.239 Base-Backbone interact. energy: 7.530 local terms energy: -267.300671 where: bonds (distance) C4'-P energy: -68.831 bonds (distance) P-C4' energy: -66.194 flat angles C4'-P-C4' energy: -67.065 flat angles P-C4'-P energy: -52.374 tors. eta vs tors. theta energy: -12.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -501.468001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.468001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.468001 (E_RNA) where: Base-Base interactions energy: -234.316 where: short stacking energy: -138.655 Base-Backbone interact. energy: -0.881 local terms energy: -266.270738 where: bonds (distance) C4'-P energy: -83.153 bonds (distance) P-C4' energy: -75.060 flat angles C4'-P-C4' energy: -72.827 flat angles P-C4'-P energy: -41.673 tors. eta vs tors. theta energy: 6.443 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: 1, replica: 7 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1595.738148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.738148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.738148 (E_RNA) where: Base-Base interactions energy: -1102.261 where: short stacking energy: -440.636 Base-Backbone interact. energy: -3.081 local terms energy: -490.396254 where: bonds (distance) C4'-P energy: -97.537 bonds (distance) P-C4' energy: -94.490 flat angles C4'-P-C4' energy: -113.787 flat angles P-C4'-P energy: -56.159 tors. eta vs tors. theta energy: -128.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1530.012555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.012555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.012555 (E_RNA) where: Base-Base interactions energy: -1030.708 where: short stacking energy: -460.020 Base-Backbone interact. energy: -2.139 local terms energy: -497.165741 where: bonds (distance) C4'-P energy: -94.647 bonds (distance) P-C4' energy: -89.271 flat angles C4'-P-C4' energy: -106.473 flat angles P-C4'-P energy: -73.128 tors. eta vs tors. theta energy: -133.647 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: 8 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1459.831190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.831190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.831190 (E_RNA) where: Base-Base interactions energy: -978.057 where: short stacking energy: -456.724 Base-Backbone interact. energy: 2.061 local terms energy: -483.835057 where: bonds (distance) C4'-P energy: -81.772 bonds (distance) P-C4' energy: -87.202 flat angles C4'-P-C4' energy: -106.174 flat angles P-C4'-P energy: -78.095 tors. eta vs tors. theta energy: -130.592 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: 3 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1339.871741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.871741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.871741 (E_RNA) where: Base-Base interactions energy: -887.956 where: short stacking energy: -381.104 Base-Backbone interact. energy: -3.296 local terms energy: -448.619953 where: bonds (distance) C4'-P energy: -86.561 bonds (distance) P-C4' energy: -95.756 flat angles C4'-P-C4' energy: -89.738 flat angles P-C4'-P energy: -73.052 tors. eta vs tors. theta energy: -103.513 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: 4 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1230.291243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.291243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.291243 (E_RNA) where: Base-Base interactions energy: -829.536 where: short stacking energy: -362.998 Base-Backbone interact. energy: 1.872 local terms energy: -402.627074 where: bonds (distance) C4'-P energy: -78.760 bonds (distance) P-C4' energy: -91.618 flat angles C4'-P-C4' energy: -86.084 flat angles P-C4'-P energy: -57.150 tors. eta vs tors. theta energy: -89.015 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: 10 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1250.291447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.291447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.291447 (E_RNA) where: Base-Base interactions energy: -841.510 where: short stacking energy: -347.259 Base-Backbone interact. energy: -2.626 local terms energy: -406.155106 where: bonds (distance) C4'-P energy: -82.797 bonds (distance) P-C4' energy: -94.671 flat angles C4'-P-C4' energy: -102.142 flat angles P-C4'-P energy: -44.259 tors. eta vs tors. theta energy: -82.286 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: 7, replica: 6 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -881.917431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.917431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.917431 (E_RNA) where: Base-Base interactions energy: -546.940 where: short stacking energy: -251.426 Base-Backbone interact. energy: 2.962 local terms energy: -337.940003 where: bonds (distance) C4'-P energy: -76.773 bonds (distance) P-C4' energy: -85.894 flat angles C4'-P-C4' energy: -82.067 flat angles P-C4'-P energy: -52.650 tors. eta vs tors. theta energy: -40.555 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: 5 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -798.871843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.871843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.871843 (E_RNA) where: Base-Base interactions energy: -476.130 where: short stacking energy: -245.363 Base-Backbone interact. energy: -0.340 local terms energy: -322.402244 where: bonds (distance) C4'-P energy: -74.068 bonds (distance) P-C4' energy: -85.480 flat angles C4'-P-C4' energy: -70.253 flat angles P-C4'-P energy: -49.157 tors. eta vs tors. theta energy: -43.443 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: 1 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -590.423493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.423493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.423493 (E_RNA) where: Base-Base interactions energy: -285.027 where: short stacking energy: -158.753 Base-Backbone interact. energy: 2.090 local terms energy: -307.486978 where: bonds (distance) C4'-P energy: -77.709 bonds (distance) P-C4' energy: -94.197 flat angles C4'-P-C4' energy: -80.328 flat angles P-C4'-P energy: -37.442 tors. eta vs tors. theta energy: -17.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -485.865504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.865504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.865504 (E_RNA) where: Base-Base interactions energy: -217.723 where: short stacking energy: -142.492 Base-Backbone interact. energy: 0.183 local terms energy: -268.325752 where: bonds (distance) C4'-P energy: -75.760 bonds (distance) P-C4' energy: -82.910 flat angles C4'-P-C4' energy: -75.793 flat angles P-C4'-P energy: -44.172 tors. eta vs tors. theta energy: 10.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1609.294095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.294095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.294095 (E_RNA) where: Base-Base interactions energy: -1107.701 where: short stacking energy: -447.593 Base-Backbone interact. energy: -2.104 local terms energy: -499.488921 where: bonds (distance) C4'-P energy: -100.595 bonds (distance) P-C4' energy: -98.628 flat angles C4'-P-C4' energy: -111.334 flat angles P-C4'-P energy: -58.590 tors. eta vs tors. theta energy: -130.341 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: 44 Temperature: 0.950000 Total energy: -1584.027835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.027835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.027835 (E_RNA) where: Base-Base interactions energy: -1072.160 where: short stacking energy: -489.711 Base-Backbone interact. energy: -3.225 local terms energy: -508.642471 where: bonds (distance) C4'-P energy: -97.995 bonds (distance) P-C4' energy: -97.433 flat angles C4'-P-C4' energy: -107.909 flat angles P-C4'-P energy: -63.503 tors. eta vs tors. theta energy: -141.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1426.016912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.016912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.016912 (E_RNA) where: Base-Base interactions energy: -939.571 where: short stacking energy: -425.299 Base-Backbone interact. energy: -2.180 local terms energy: -484.266786 where: bonds (distance) C4'-P energy: -83.906 bonds (distance) P-C4' energy: -109.702 flat angles C4'-P-C4' energy: -95.374 flat angles P-C4'-P energy: -71.691 tors. eta vs tors. theta energy: -123.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1340.018407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.018407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.018407 (E_RNA) where: Base-Base interactions energy: -905.896 where: short stacking energy: -408.584 Base-Backbone interact. energy: -3.988 local terms energy: -430.134728 where: bonds (distance) C4'-P energy: -81.594 bonds (distance) P-C4' energy: -90.107 flat angles C4'-P-C4' energy: -92.980 flat angles P-C4'-P energy: -56.326 tors. eta vs tors. theta energy: -109.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1305.273379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.273379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.273379 (E_RNA) where: Base-Base interactions energy: -881.698 where: short stacking energy: -401.528 Base-Backbone interact. energy: -0.949 local terms energy: -422.626721 where: bonds (distance) C4'-P energy: -87.800 bonds (distance) P-C4' energy: -90.401 flat angles C4'-P-C4' energy: -82.767 flat angles P-C4'-P energy: -53.323 tors. eta vs tors. theta energy: -108.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1173.141778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.141778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.141778 (E_RNA) where: Base-Base interactions energy: -772.286 where: short stacking energy: -332.340 Base-Backbone interact. energy: -2.173 local terms energy: -398.682873 where: bonds (distance) C4'-P energy: -85.765 bonds (distance) P-C4' energy: -102.342 flat angles C4'-P-C4' energy: -71.286 flat angles P-C4'-P energy: -61.062 tors. eta vs tors. theta energy: -78.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -899.797692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.797692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.797692 (E_RNA) where: Base-Base interactions energy: -540.899 where: short stacking energy: -278.235 Base-Backbone interact. energy: 2.739 local terms energy: -361.637510 where: bonds (distance) C4'-P energy: -82.009 bonds (distance) P-C4' energy: -80.496 flat angles C4'-P-C4' energy: -90.256 flat angles P-C4'-P energy: -51.407 tors. eta vs tors. theta energy: -57.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -782.688811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.688811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.688811 (E_RNA) where: Base-Base interactions energy: -471.540 where: short stacking energy: -231.611 Base-Backbone interact. energy: 0.425 local terms energy: -311.574483 where: bonds (distance) C4'-P energy: -83.411 bonds (distance) P-C4' energy: -79.739 flat angles C4'-P-C4' energy: -73.420 flat angles P-C4'-P energy: -52.355 tors. eta vs tors. theta energy: -22.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -535.820275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.820275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.820275 (E_RNA) where: Base-Base interactions energy: -268.135 where: short stacking energy: -161.484 Base-Backbone interact. energy: 3.473 local terms energy: -271.159043 where: bonds (distance) C4'-P energy: -72.003 bonds (distance) P-C4' energy: -87.793 flat angles C4'-P-C4' energy: -63.860 flat angles P-C4'-P energy: -50.053 tors. eta vs tors. theta energy: 2.549 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: 10, replica: 1 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -528.693522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.693522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.693522 (E_RNA) where: Base-Base interactions energy: -266.836 where: short stacking energy: -159.762 Base-Backbone interact. energy: 0.957 local terms energy: -262.814974 where: bonds (distance) C4'-P energy: -71.194 bonds (distance) P-C4' energy: -87.359 flat angles C4'-P-C4' energy: -60.173 flat angles P-C4'-P energy: -37.819 tors. eta vs tors. theta energy: -6.270 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: 7 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1567.856882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.856882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.856882 (E_RNA) where: Base-Base interactions energy: -1083.025 where: short stacking energy: -442.536 Base-Backbone interact. energy: 1.361 local terms energy: -486.192966 where: bonds (distance) C4'-P energy: -96.870 bonds (distance) P-C4' energy: -91.253 flat angles C4'-P-C4' energy: -100.873 flat angles P-C4'-P energy: -67.869 tors. eta vs tors. theta energy: -129.329 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: 2, replica: 2 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1576.413935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.413935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.413935 (E_RNA) where: Base-Base interactions energy: -1079.086 where: short stacking energy: -466.884 Base-Backbone interact. energy: -2.446 local terms energy: -494.882324 where: bonds (distance) C4'-P energy: -105.747 bonds (distance) P-C4' energy: -75.449 flat angles C4'-P-C4' energy: -104.094 flat angles P-C4'-P energy: -74.278 tors. eta vs tors. theta energy: -135.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1429.729688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.729688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.729688 (E_RNA) where: Base-Base interactions energy: -957.030 where: short stacking energy: -440.750 Base-Backbone interact. energy: -2.416 local terms energy: -470.284173 where: bonds (distance) C4'-P energy: -97.162 bonds (distance) P-C4' energy: -101.437 flat angles C4'-P-C4' energy: -102.083 flat angles P-C4'-P energy: -58.712 tors. eta vs tors. theta energy: -110.890 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: 3 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1385.834510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.834510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.834510 (E_RNA) where: Base-Base interactions energy: -925.281 where: short stacking energy: -397.297 Base-Backbone interact. energy: -1.378 local terms energy: -459.175480 where: bonds (distance) C4'-P energy: -81.055 bonds (distance) P-C4' energy: -100.100 flat angles C4'-P-C4' energy: -107.312 flat angles P-C4'-P energy: -56.177 tors. eta vs tors. theta energy: -114.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1272.905462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.905462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.905462 (E_RNA) where: Base-Base interactions energy: -843.541 where: short stacking energy: -365.395 Base-Backbone interact. energy: -3.453 local terms energy: -425.911614 where: bonds (distance) C4'-P energy: -84.654 bonds (distance) P-C4' energy: -98.169 flat angles C4'-P-C4' energy: -98.320 flat angles P-C4'-P energy: -63.456 tors. eta vs tors. theta energy: -81.313 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: 4 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1129.114959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.114959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.114959 (E_RNA) where: Base-Base interactions energy: -750.656 where: short stacking energy: -329.729 Base-Backbone interact. energy: 1.956 local terms energy: -380.414588 where: bonds (distance) C4'-P energy: -88.208 bonds (distance) P-C4' energy: -85.206 flat angles C4'-P-C4' energy: -99.336 flat angles P-C4'-P energy: -38.154 tors. eta vs tors. theta energy: -69.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -852.144797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.144797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.144797 (E_RNA) where: Base-Base interactions energy: -525.552 where: short stacking energy: -232.447 Base-Backbone interact. energy: -0.021 local terms energy: -326.571892 where: bonds (distance) C4'-P energy: -84.886 bonds (distance) P-C4' energy: -76.023 flat angles C4'-P-C4' energy: -69.360 flat angles P-C4'-P energy: -53.704 tors. eta vs tors. theta energy: -42.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -732.677845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.677845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.677845 (E_RNA) where: Base-Base interactions energy: -415.631 where: short stacking energy: -221.038 Base-Backbone interact. energy: -0.733 local terms energy: -316.314305 where: bonds (distance) C4'-P energy: -89.617 bonds (distance) P-C4' energy: -89.223 flat angles C4'-P-C4' energy: -77.917 flat angles P-C4'-P energy: -38.518 tors. eta vs tors. theta energy: -21.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -530.117151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.117151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.117151 (E_RNA) where: Base-Base interactions energy: -261.081 where: short stacking energy: -153.247 Base-Backbone interact. energy: 1.135 local terms energy: -270.170616 where: bonds (distance) C4'-P energy: -79.345 bonds (distance) P-C4' energy: -76.942 flat angles C4'-P-C4' energy: -50.323 flat angles P-C4'-P energy: -49.826 tors. eta vs tors. theta energy: -13.733 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: 1 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -508.892224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.892224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.892224 (E_RNA) where: Base-Base interactions energy: -253.565 where: short stacking energy: -145.207 Base-Backbone interact. energy: 1.746 local terms energy: -257.073034 where: bonds (distance) C4'-P energy: -66.546 bonds (distance) P-C4' energy: -79.737 flat angles C4'-P-C4' energy: -69.931 flat angles P-C4'-P energy: -54.948 tors. eta vs tors. theta energy: 14.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1582.577779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.577779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.577779 (E_RNA) where: Base-Base interactions energy: -1088.456 where: short stacking energy: -446.726 Base-Backbone interact. energy: 0.106 local terms energy: -494.227637 where: bonds (distance) C4'-P energy: -92.675 bonds (distance) P-C4' energy: -98.486 flat angles C4'-P-C4' energy: -102.954 flat angles P-C4'-P energy: -69.933 tors. eta vs tors. theta energy: -130.180 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: 46 Temperature: 0.950000 Total energy: -1576.993549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.993549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.993549 (E_RNA) where: Base-Base interactions energy: -1070.922 where: short stacking energy: -473.285 Base-Backbone interact. energy: -2.605 local terms energy: -503.467152 where: bonds (distance) C4'-P energy: -91.333 bonds (distance) P-C4' energy: -98.939 flat angles C4'-P-C4' energy: -113.469 flat angles P-C4'-P energy: -71.400 tors. eta vs tors. theta energy: -128.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1436.279654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.279654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.279654 (E_RNA) where: Base-Base interactions energy: -972.653 where: short stacking energy: -431.870 Base-Backbone interact. energy: -1.656 local terms energy: -461.971199 where: bonds (distance) C4'-P energy: -84.642 bonds (distance) P-C4' energy: -101.362 flat angles C4'-P-C4' energy: -99.591 flat angles P-C4'-P energy: -72.774 tors. eta vs tors. theta energy: -103.603 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: 3 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1358.264593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.264593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.264593 (E_RNA) where: Base-Base interactions energy: -887.062 where: short stacking energy: -400.282 Base-Backbone interact. energy: -4.532 local terms energy: -466.669665 where: bonds (distance) C4'-P energy: -92.637 bonds (distance) P-C4' energy: -90.934 flat angles C4'-P-C4' energy: -105.594 flat angles P-C4'-P energy: -63.631 tors. eta vs tors. theta energy: -113.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1283.113573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.113573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.113573 (E_RNA) where: Base-Base interactions energy: -873.901 where: short stacking energy: -388.014 Base-Backbone interact. energy: 0.957 local terms energy: -410.170076 where: bonds (distance) C4'-P energy: -64.981 bonds (distance) P-C4' energy: -76.922 flat angles C4'-P-C4' energy: -96.273 flat angles P-C4'-P energy: -63.448 tors. eta vs tors. theta energy: -108.546 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: 4 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1149.527438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.527438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.527438 (E_RNA) where: Base-Base interactions energy: -790.502 where: short stacking energy: -341.434 Base-Backbone interact. energy: 0.615 local terms energy: -359.640321 where: bonds (distance) C4'-P energy: -76.693 bonds (distance) P-C4' energy: -77.038 flat angles C4'-P-C4' energy: -87.937 flat angles P-C4'-P energy: -44.788 tors. eta vs tors. theta energy: -73.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -903.175409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.175409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.175409 (E_RNA) where: Base-Base interactions energy: -557.426 where: short stacking energy: -279.042 Base-Backbone interact. energy: 4.040 local terms energy: -349.788965 where: bonds (distance) C4'-P energy: -85.497 bonds (distance) P-C4' energy: -80.109 flat angles C4'-P-C4' energy: -82.995 flat angles P-C4'-P energy: -52.458 tors. eta vs tors. theta energy: -48.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -777.640285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.640285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.640285 (E_RNA) where: Base-Base interactions energy: -486.349 where: short stacking energy: -231.846 Base-Backbone interact. energy: -2.676 local terms energy: -288.614929 where: bonds (distance) C4'-P energy: -61.577 bonds (distance) P-C4' energy: -67.975 flat angles C4'-P-C4' energy: -84.459 flat angles P-C4'-P energy: -58.898 tors. eta vs tors. theta energy: -15.707 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: 9 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -562.773442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.773442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.773442 (E_RNA) where: Base-Base interactions energy: -278.620 where: short stacking energy: -169.196 Base-Backbone interact. energy: 5.465 local terms energy: -289.618463 where: bonds (distance) C4'-P energy: -69.837 bonds (distance) P-C4' energy: -85.047 flat angles C4'-P-C4' energy: -79.064 flat angles P-C4'-P energy: -57.193 tors. eta vs tors. theta energy: 1.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -462.211714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.211714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.211714 (E_RNA) where: Base-Base interactions energy: -212.311 where: short stacking energy: -129.099 Base-Backbone interact. energy: 0.749 local terms energy: -250.650205 where: bonds (distance) C4'-P energy: -69.780 bonds (distance) P-C4' energy: -95.597 flat angles C4'-P-C4' energy: -68.449 flat angles P-C4'-P energy: -33.525 tors. eta vs tors. theta energy: 16.701 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: 7 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1574.796926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.796926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.796926 (E_RNA) where: Base-Base interactions energy: -1081.473 where: short stacking energy: -454.821 Base-Backbone interact. energy: -3.370 local terms energy: -489.953263 where: bonds (distance) C4'-P energy: -89.430 bonds (distance) P-C4' energy: -108.000 flat angles C4'-P-C4' energy: -105.470 flat angles P-C4'-P energy: -58.548 tors. eta vs tors. theta energy: -128.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1579.219230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.219230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.219230 (E_RNA) where: Base-Base interactions energy: -1087.498 where: short stacking energy: -484.580 Base-Backbone interact. energy: -1.195 local terms energy: -490.525778 where: bonds (distance) C4'-P energy: -89.785 bonds (distance) P-C4' energy: -85.850 flat angles C4'-P-C4' energy: -108.167 flat angles P-C4'-P energy: -68.220 tors. eta vs tors. theta energy: -138.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1458.654469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.654469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.654469 (E_RNA) where: Base-Base interactions energy: -978.116 where: short stacking energy: -440.593 Base-Backbone interact. energy: 0.358 local terms energy: -480.897123 where: bonds (distance) C4'-P energy: -94.621 bonds (distance) P-C4' energy: -93.434 flat angles C4'-P-C4' energy: -102.953 flat angles P-C4'-P energy: -72.055 tors. eta vs tors. theta energy: -117.834 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: 4, replica: 3 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1383.132153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.132153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.132153 (E_RNA) where: Base-Base interactions energy: -932.234 where: short stacking energy: -399.284 Base-Backbone interact. energy: -0.360 local terms energy: -450.538477 where: bonds (distance) C4'-P energy: -85.627 bonds (distance) P-C4' energy: -80.235 flat angles C4'-P-C4' energy: -103.619 flat angles P-C4'-P energy: -58.883 tors. eta vs tors. theta energy: -122.175 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: 10 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1329.587716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.587716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.587716 (E_RNA) where: Base-Base interactions energy: -890.836 where: short stacking energy: -371.848 Base-Backbone interact. energy: -2.671 local terms energy: -436.080768 where: bonds (distance) C4'-P energy: -91.843 bonds (distance) P-C4' energy: -85.429 flat angles C4'-P-C4' energy: -96.518 flat angles P-C4'-P energy: -57.419 tors. eta vs tors. theta energy: -104.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1144.541151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.541151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.541151 (E_RNA) where: Base-Base interactions energy: -724.542 where: short stacking energy: -323.715 Base-Backbone interact. energy: -1.102 local terms energy: -418.897185 where: bonds (distance) C4'-P energy: -84.795 bonds (distance) P-C4' energy: -96.297 flat angles C4'-P-C4' energy: -86.887 flat angles P-C4'-P energy: -64.101 tors. eta vs tors. theta energy: -86.817 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: 6 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -916.897212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.897212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.897212 (E_RNA) where: Base-Base interactions energy: -563.153 where: short stacking energy: -272.692 Base-Backbone interact. energy: 0.436 local terms energy: -354.180076 where: bonds (distance) C4'-P energy: -85.945 bonds (distance) P-C4' energy: -87.588 flat angles C4'-P-C4' energy: -75.346 flat angles P-C4'-P energy: -56.802 tors. eta vs tors. theta energy: -48.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -767.539018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.539018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.539018 (E_RNA) where: Base-Base interactions energy: -476.932 where: short stacking energy: -218.474 Base-Backbone interact. energy: -0.605 local terms energy: -290.001925 where: bonds (distance) C4'-P energy: -73.359 bonds (distance) P-C4' energy: -87.930 flat angles C4'-P-C4' energy: -61.514 flat angles P-C4'-P energy: -53.203 tors. eta vs tors. theta energy: -13.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -532.166543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.166543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.166543 (E_RNA) where: Base-Base interactions energy: -257.955 where: short stacking energy: -162.451 Base-Backbone interact. energy: -2.902 local terms energy: -271.310047 where: bonds (distance) C4'-P energy: -83.758 bonds (distance) P-C4' energy: -88.075 flat angles C4'-P-C4' energy: -65.535 flat angles P-C4'-P energy: -34.074 tors. eta vs tors. theta energy: 0.131 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: 1 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -477.722806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.722806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.722806 (E_RNA) where: Base-Base interactions energy: -230.691 where: short stacking energy: -139.876 Base-Backbone interact. energy: -0.602 local terms energy: -246.429122 where: bonds (distance) C4'-P energy: -77.730 bonds (distance) P-C4' energy: -74.941 flat angles C4'-P-C4' energy: -76.789 flat angles P-C4'-P energy: -33.472 tors. eta vs tors. theta energy: 16.502 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: 1, replica: 7 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1581.720421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.720421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.720421 (E_RNA) where: Base-Base interactions energy: -1077.834 where: short stacking energy: -447.181 Base-Backbone interact. energy: 1.794 local terms energy: -505.680732 where: bonds (distance) C4'-P energy: -93.321 bonds (distance) P-C4' energy: -97.178 flat angles C4'-P-C4' energy: -107.357 flat angles P-C4'-P energy: -74.056 tors. eta vs tors. theta energy: -133.769 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: 48 Temperature: 0.950000 Total energy: -1546.370377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.370377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.370377 (E_RNA) where: Base-Base interactions energy: -1049.065 where: short stacking energy: -457.230 Base-Backbone interact. energy: -1.030 local terms energy: -496.275732 where: bonds (distance) C4'-P energy: -93.846 bonds (distance) P-C4' energy: -98.777 flat angles C4'-P-C4' energy: -110.340 flat angles P-C4'-P energy: -68.423 tors. eta vs tors. theta energy: -124.890 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: 8 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1416.899440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.899440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.899440 (E_RNA) where: Base-Base interactions energy: -935.935 where: short stacking energy: -419.794 Base-Backbone interact. energy: -1.325 local terms energy: -479.639687 where: bonds (distance) C4'-P energy: -89.274 bonds (distance) P-C4' energy: -92.249 flat angles C4'-P-C4' energy: -98.646 flat angles P-C4'-P energy: -76.045 tors. eta vs tors. theta energy: -123.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1372.065572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.065572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.065572 (E_RNA) where: Base-Base interactions energy: -930.093 where: short stacking energy: -417.134 Base-Backbone interact. energy: -2.477 local terms energy: -439.495636 where: bonds (distance) C4'-P energy: -84.455 bonds (distance) P-C4' energy: -84.308 flat angles C4'-P-C4' energy: -92.141 flat angles P-C4'-P energy: -64.270 tors. eta vs tors. theta energy: -114.321 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: 48 Temperature: 1.100000 Total energy: -1256.623732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.623732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.623732 (E_RNA) where: Base-Base interactions energy: -851.321 where: short stacking energy: -371.101 Base-Backbone interact. energy: -0.057 local terms energy: -405.245231 where: bonds (distance) C4'-P energy: -84.604 bonds (distance) P-C4' energy: -82.100 flat angles C4'-P-C4' energy: -95.116 flat angles P-C4'-P energy: -48.270 tors. eta vs tors. theta energy: -95.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1153.938585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.938585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.938585 (E_RNA) where: Base-Base interactions energy: -773.012 where: short stacking energy: -333.432 Base-Backbone interact. energy: 0.077 local terms energy: -381.003154 where: bonds (distance) C4'-P energy: -81.313 bonds (distance) P-C4' energy: -77.093 flat angles C4'-P-C4' energy: -89.678 flat angles P-C4'-P energy: -57.969 tors. eta vs tors. theta energy: -74.951 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: 6 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -932.106096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.106096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.106096 (E_RNA) where: Base-Base interactions energy: -585.426 where: short stacking energy: -263.347 Base-Backbone interact. energy: -2.237 local terms energy: -344.442769 where: bonds (distance) C4'-P energy: -78.007 bonds (distance) P-C4' energy: -84.309 flat angles C4'-P-C4' energy: -77.084 flat angles P-C4'-P energy: -45.925 tors. eta vs tors. theta energy: -59.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -816.548759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.548759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.548759 (E_RNA) where: Base-Base interactions energy: -489.762 where: short stacking energy: -234.431 Base-Backbone interact. energy: -0.085 local terms energy: -326.701628 where: bonds (distance) C4'-P energy: -71.525 bonds (distance) P-C4' energy: -86.013 flat angles C4'-P-C4' energy: -87.591 flat angles P-C4'-P energy: -50.126 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: 9, replica: 9 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -536.147522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.147522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.147522 (E_RNA) where: Base-Base interactions energy: -234.580 where: short stacking energy: -161.503 Base-Backbone interact. energy: 0.213 local terms energy: -301.780237 where: bonds (distance) C4'-P energy: -64.530 bonds (distance) P-C4' energy: -93.792 flat angles C4'-P-C4' energy: -79.362 flat angles P-C4'-P energy: -44.317 tors. eta vs tors. theta energy: -19.779 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: 1 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -476.958936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.958936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.958936 (E_RNA) where: Base-Base interactions energy: -212.784 where: short stacking energy: -149.070 Base-Backbone interact. energy: 6.639 local terms energy: -270.813726 where: bonds (distance) C4'-P energy: -62.793 bonds (distance) P-C4' energy: -92.095 flat angles C4'-P-C4' energy: -80.242 flat angles P-C4'-P energy: -34.894 tors. eta vs tors. theta energy: -0.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1580.350809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.350809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.350809 (E_RNA) where: Base-Base interactions energy: -1061.544 where: short stacking energy: -439.070 Base-Backbone interact. energy: -1.121 local terms energy: -517.685830 where: bonds (distance) C4'-P energy: -98.601 bonds (distance) P-C4' energy: -103.290 flat angles C4'-P-C4' energy: -113.372 flat angles P-C4'-P energy: -71.958 tors. eta vs tors. theta energy: -130.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1566.855917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.855917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.855917 (E_RNA) where: Base-Base interactions energy: -1063.012 where: short stacking energy: -469.536 Base-Backbone interact. energy: -0.742 local terms energy: -503.102194 where: bonds (distance) C4'-P energy: -95.983 bonds (distance) P-C4' energy: -90.571 flat angles C4'-P-C4' energy: -114.828 flat angles P-C4'-P energy: -64.539 tors. eta vs tors. theta energy: -137.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1433.130110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.130110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.130110 (E_RNA) where: Base-Base interactions energy: -980.046 where: short stacking energy: -439.010 Base-Backbone interact. energy: 7.119 local terms energy: -460.203284 where: bonds (distance) C4'-P energy: -89.309 bonds (distance) P-C4' energy: -98.973 flat angles C4'-P-C4' energy: -97.865 flat angles P-C4'-P energy: -58.822 tors. eta vs tors. theta energy: -115.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1364.322505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.322505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.322505 (E_RNA) where: Base-Base interactions energy: -909.754 where: short stacking energy: -388.499 Base-Backbone interact. energy: -0.321 local terms energy: -454.247374 where: bonds (distance) C4'-P energy: -95.241 bonds (distance) P-C4' energy: -87.278 flat angles C4'-P-C4' energy: -103.266 flat angles P-C4'-P energy: -56.022 tors. eta vs tors. theta energy: -112.440 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: 10 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1273.062414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.062414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.062414 (E_RNA) where: Base-Base interactions energy: -836.731 where: short stacking energy: -372.896 Base-Backbone interact. energy: -2.654 local terms energy: -433.677060 where: bonds (distance) C4'-P energy: -86.757 bonds (distance) P-C4' energy: -91.644 flat angles C4'-P-C4' energy: -89.637 flat angles P-C4'-P energy: -70.037 tors. eta vs tors. theta energy: -95.603 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: 4 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1129.893541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.893541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.893541 (E_RNA) where: Base-Base interactions energy: -745.440 where: short stacking energy: -304.415 Base-Backbone interact. energy: 1.162 local terms energy: -385.615738 where: bonds (distance) C4'-P energy: -67.682 bonds (distance) P-C4' energy: -82.232 flat angles C4'-P-C4' energy: -90.891 flat angles P-C4'-P energy: -68.444 tors. eta vs tors. theta energy: -76.367 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: 7, replica: 6 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -960.426625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.426625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.426625 (E_RNA) where: Base-Base interactions energy: -603.037 where: short stacking energy: -286.235 Base-Backbone interact. energy: -2.896 local terms energy: -354.493203 where: bonds (distance) C4'-P energy: -75.277 bonds (distance) P-C4' energy: -77.845 flat angles C4'-P-C4' energy: -84.820 flat angles P-C4'-P energy: -55.005 tors. eta vs tors. theta energy: -61.546 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: 5 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -828.339567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.339567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.339567 (E_RNA) where: Base-Base interactions energy: -541.161 where: short stacking energy: -242.346 Base-Backbone interact. energy: -2.798 local terms energy: -284.380601 where: bonds (distance) C4'-P energy: -63.992 bonds (distance) P-C4' energy: -86.936 flat angles C4'-P-C4' energy: -79.908 flat angles P-C4'-P energy: -30.942 tors. eta vs tors. theta energy: -22.603 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: 9 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -540.120009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.120009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.120009 (E_RNA) where: Base-Base interactions energy: -284.291 where: short stacking energy: -210.810 Base-Backbone interact. energy: 2.034 local terms energy: -257.862619 where: bonds (distance) C4'-P energy: -72.110 bonds (distance) P-C4' energy: -74.581 flat angles C4'-P-C4' energy: -66.760 flat angles P-C4'-P energy: -33.528 tors. eta vs tors. theta energy: -10.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -463.919638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.919638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.919638 (E_RNA) where: Base-Base interactions energy: -200.987 where: short stacking energy: -118.752 Base-Backbone interact. energy: 1.193 local terms energy: -264.125188 where: bonds (distance) C4'-P energy: -68.335 bonds (distance) P-C4' energy: -74.888 flat angles C4'-P-C4' energy: -68.462 flat angles P-C4'-P energy: -57.626 tors. eta vs tors. theta energy: 5.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1579.913575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.913575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.913575 (E_RNA) where: Base-Base interactions energy: -1075.101 where: short stacking energy: -463.249 Base-Backbone interact. energy: -1.625 local terms energy: -503.187154 where: bonds (distance) C4'-P energy: -85.757 bonds (distance) P-C4' energy: -106.452 flat angles C4'-P-C4' energy: -108.424 flat angles P-C4'-P energy: -71.010 tors. eta vs tors. theta energy: -131.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1563.595212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.595212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.595212 (E_RNA) where: Base-Base interactions energy: -1076.741 where: short stacking energy: -459.595 Base-Backbone interact. energy: -2.778 local terms energy: -484.076368 where: bonds (distance) C4'-P energy: -70.018 bonds (distance) P-C4' energy: -101.521 flat angles C4'-P-C4' energy: -105.390 flat angles P-C4'-P energy: -71.711 tors. eta vs tors. theta energy: -135.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1444.431367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.431367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.431367 (E_RNA) where: Base-Base interactions energy: -963.725 where: short stacking energy: -423.659 Base-Backbone interact. energy: 5.317 local terms energy: -486.024264 where: bonds (distance) C4'-P energy: -92.335 bonds (distance) P-C4' energy: -97.490 flat angles C4'-P-C4' energy: -108.314 flat angles P-C4'-P energy: -67.636 tors. eta vs tors. theta energy: -120.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1372.805046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.805046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.805046 (E_RNA) where: Base-Base interactions energy: -897.834 where: short stacking energy: -383.428 Base-Backbone interact. energy: -4.119 local terms energy: -470.852223 where: bonds (distance) C4'-P energy: -89.872 bonds (distance) P-C4' energy: -96.167 flat angles C4'-P-C4' energy: -97.051 flat angles P-C4'-P energy: -72.006 tors. eta vs tors. theta energy: -115.755 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: 10 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1284.281599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.281599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.281599 (E_RNA) where: Base-Base interactions energy: -875.038 where: short stacking energy: -383.196 Base-Backbone interact. energy: -0.979 local terms energy: -408.264864 where: bonds (distance) C4'-P energy: -70.519 bonds (distance) P-C4' energy: -87.193 flat angles C4'-P-C4' energy: -94.456 flat angles P-C4'-P energy: -55.901 tors. eta vs tors. theta energy: -100.197 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: 6, replica: 4 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1094.214102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.214102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.214102 (E_RNA) where: Base-Base interactions energy: -712.792 where: short stacking energy: -306.480 Base-Backbone interact. energy: -4.960 local terms energy: -376.462537 where: bonds (distance) C4'-P energy: -90.379 bonds (distance) P-C4' energy: -88.933 flat angles C4'-P-C4' energy: -78.076 flat angles P-C4'-P energy: -44.662 tors. eta vs tors. theta energy: -74.413 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: 7, replica: 6 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -905.663672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.663672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.663672 (E_RNA) where: Base-Base interactions energy: -539.530 where: short stacking energy: -265.166 Base-Backbone interact. energy: 0.074 local terms energy: -366.208255 where: bonds (distance) C4'-P energy: -77.862 bonds (distance) P-C4' energy: -86.408 flat angles C4'-P-C4' energy: -85.537 flat angles P-C4'-P energy: -58.684 tors. eta vs tors. theta energy: -57.716 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: 5 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -802.886009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.886009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.886009 (E_RNA) where: Base-Base interactions energy: -498.853 where: short stacking energy: -241.560 Base-Backbone interact. energy: -1.495 local terms energy: -302.538463 where: bonds (distance) C4'-P energy: -76.699 bonds (distance) P-C4' energy: -78.849 flat angles C4'-P-C4' energy: -78.184 flat angles P-C4'-P energy: -39.770 tors. eta vs tors. theta energy: -29.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -544.158499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.158499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.158499 (E_RNA) where: Base-Base interactions energy: -252.750 where: short stacking energy: -144.068 Base-Backbone interact. energy: -2.207 local terms energy: -289.202135 where: bonds (distance) C4'-P energy: -74.564 bonds (distance) P-C4' energy: -75.179 flat angles C4'-P-C4' energy: -75.802 flat angles P-C4'-P energy: -53.711 tors. eta vs tors. theta energy: -9.946 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: 10, replica: 1 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -481.524553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.524553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.524553 (E_RNA) where: Base-Base interactions energy: -227.105 where: short stacking energy: -141.737 Base-Backbone interact. energy: 7.949 local terms energy: -262.368457 where: bonds (distance) C4'-P energy: -85.550 bonds (distance) P-C4' energy: -73.950 flat angles C4'-P-C4' energy: -68.856 flat angles P-C4'-P energy: -29.153 tors. eta vs tors. theta energy: -4.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1577.248482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.248482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.248482 (E_RNA) where: Base-Base interactions energy: -1078.438 where: short stacking energy: -467.494 Base-Backbone interact. energy: -2.386 local terms energy: -496.424108 where: bonds (distance) C4'-P energy: -99.944 bonds (distance) P-C4' energy: -93.475 flat angles C4'-P-C4' energy: -99.777 flat angles P-C4'-P energy: -71.242 tors. eta vs tors. theta energy: -131.986 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: 2 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1600.704282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.704282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.704282 (E_RNA) where: Base-Base interactions energy: -1091.672 where: short stacking energy: -477.354 Base-Backbone interact. energy: 0.282 local terms energy: -509.314477 where: bonds (distance) C4'-P energy: -87.167 bonds (distance) P-C4' energy: -100.525 flat angles C4'-P-C4' energy: -106.195 flat angles P-C4'-P energy: -77.279 tors. eta vs tors. theta energy: -138.148 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: 51 Temperature: 1.000000 Total energy: -1432.370491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.370491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.370491 (E_RNA) where: Base-Base interactions energy: -971.375 where: short stacking energy: -409.750 Base-Backbone interact. energy: -0.527 local terms energy: -460.468654 where: bonds (distance) C4'-P energy: -87.389 bonds (distance) P-C4' energy: -90.879 flat angles C4'-P-C4' energy: -104.875 flat angles P-C4'-P energy: -60.346 tors. eta vs tors. theta energy: -116.979 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: 51 Temperature: 1.050000 Total energy: -1371.804959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.804959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.804959 (E_RNA) where: Base-Base interactions energy: -914.798 where: short stacking energy: -391.539 Base-Backbone interact. energy: -2.511 local terms energy: -454.495690 where: bonds (distance) C4'-P energy: -83.644 bonds (distance) P-C4' energy: -91.123 flat angles C4'-P-C4' energy: -96.688 flat angles P-C4'-P energy: -67.389 tors. eta vs tors. theta energy: -115.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1293.868829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.868829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.868829 (E_RNA) where: Base-Base interactions energy: -865.907 where: short stacking energy: -378.415 Base-Backbone interact. energy: -1.461 local terms energy: -426.501151 where: bonds (distance) C4'-P energy: -90.025 bonds (distance) P-C4' energy: -85.058 flat angles C4'-P-C4' energy: -97.511 flat angles P-C4'-P energy: -60.728 tors. eta vs tors. theta energy: -93.179 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: 6, replica: 4 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1101.934995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.934995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.934995 (E_RNA) where: Base-Base interactions energy: -732.086 where: short stacking energy: -320.719 Base-Backbone interact. energy: 1.422 local terms energy: -371.271053 where: bonds (distance) C4'-P energy: -74.428 bonds (distance) P-C4' energy: -79.576 flat angles C4'-P-C4' energy: -92.213 flat angles P-C4'-P energy: -58.416 tors. eta vs tors. theta energy: -66.638 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: 6 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -925.258344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.258344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.258344 (E_RNA) where: Base-Base interactions energy: -553.472 where: short stacking energy: -266.309 Base-Backbone interact. energy: 2.093 local terms energy: -373.879974 where: bonds (distance) C4'-P energy: -88.115 bonds (distance) P-C4' energy: -96.815 flat angles C4'-P-C4' energy: -78.548 flat angles P-C4'-P energy: -57.259 tors. eta vs tors. theta energy: -53.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -780.197619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.197619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.197619 (E_RNA) where: Base-Base interactions energy: -453.049 where: short stacking energy: -214.842 Base-Backbone interact. energy: 2.103 local terms energy: -329.252241 where: bonds (distance) C4'-P energy: -77.101 bonds (distance) P-C4' energy: -77.966 flat angles C4'-P-C4' energy: -84.288 flat angles P-C4'-P energy: -56.979 tors. eta vs tors. theta energy: -32.919 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: 9, replica: 9 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -603.983207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.983207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.983207 (E_RNA) where: Base-Base interactions energy: -320.342 where: short stacking energy: -197.030 Base-Backbone interact. energy: -4.172 local terms energy: -279.468943 where: bonds (distance) C4'-P energy: -75.405 bonds (distance) P-C4' energy: -76.718 flat angles C4'-P-C4' energy: -68.282 flat angles P-C4'-P energy: -43.365 tors. eta vs tors. theta energy: -15.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -474.897678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.897678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.897678 (E_RNA) where: Base-Base interactions energy: -212.440 where: short stacking energy: -126.487 Base-Backbone interact. energy: 4.035 local terms energy: -266.492737 where: bonds (distance) C4'-P energy: -70.858 bonds (distance) P-C4' energy: -85.618 flat angles C4'-P-C4' energy: -78.822 flat angles P-C4'-P energy: -53.820 tors. eta vs tors. theta energy: 22.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1595.147210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.147210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.147210 (E_RNA) where: Base-Base interactions energy: -1104.698 where: short stacking energy: -462.431 Base-Backbone interact. energy: -1.803 local terms energy: -488.646289 where: bonds (distance) C4'-P energy: -97.559 bonds (distance) P-C4' energy: -98.197 flat angles C4'-P-C4' energy: -109.664 flat angles P-C4'-P energy: -53.294 tors. eta vs tors. theta energy: -129.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1597.909947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.909947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.909947 (E_RNA) where: Base-Base interactions energy: -1110.980 where: short stacking energy: -484.298 Base-Backbone interact. energy: -0.761 local terms energy: -486.169582 where: bonds (distance) C4'-P energy: -89.318 bonds (distance) P-C4' energy: -84.608 flat angles C4'-P-C4' energy: -101.605 flat angles P-C4'-P energy: -68.335 tors. eta vs tors. theta energy: -142.303 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: 52 Temperature: 1.000000 Total energy: -1432.903252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.903252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.903252 (E_RNA) where: Base-Base interactions energy: -957.113 where: short stacking energy: -425.528 Base-Backbone interact. energy: -3.219 local terms energy: -472.571254 where: bonds (distance) C4'-P energy: -92.987 bonds (distance) P-C4' energy: -85.858 flat angles C4'-P-C4' energy: -110.074 flat angles P-C4'-P energy: -68.911 tors. eta vs tors. theta energy: -114.741 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: 52 Temperature: 1.050000 Total energy: -1315.838632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.838632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.838632 (E_RNA) where: Base-Base interactions energy: -880.409 where: short stacking energy: -400.182 Base-Backbone interact. energy: -1.762 local terms energy: -433.667691 where: bonds (distance) C4'-P energy: -92.359 bonds (distance) P-C4' energy: -90.165 flat angles C4'-P-C4' energy: -72.722 flat angles P-C4'-P energy: -63.809 tors. eta vs tors. theta energy: -114.613 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: 10 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1289.341346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.341346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.341346 (E_RNA) where: Base-Base interactions energy: -861.807 where: short stacking energy: -362.665 Base-Backbone interact. energy: -1.298 local terms energy: -426.236562 where: bonds (distance) C4'-P energy: -81.932 bonds (distance) P-C4' energy: -83.481 flat angles C4'-P-C4' energy: -108.375 flat angles P-C4'-P energy: -64.947 tors. eta vs tors. theta energy: -87.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1141.545055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.545055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.545055 (E_RNA) where: Base-Base interactions energy: -747.184 where: short stacking energy: -336.373 Base-Backbone interact. energy: 0.198 local terms energy: -394.559407 where: bonds (distance) C4'-P energy: -96.046 bonds (distance) P-C4' energy: -78.114 flat angles C4'-P-C4' energy: -87.327 flat angles P-C4'-P energy: -55.609 tors. eta vs tors. theta energy: -77.463 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: 52 Temperature: 1.200000 Total energy: -939.481197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.481197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.481197 (E_RNA) where: Base-Base interactions energy: -584.708 where: short stacking energy: -258.283 Base-Backbone interact. energy: -2.018 local terms energy: -352.754895 where: bonds (distance) C4'-P energy: -78.166 bonds (distance) P-C4' energy: -82.255 flat angles C4'-P-C4' energy: -88.115 flat angles P-C4'-P energy: -46.184 tors. eta vs tors. theta energy: -58.036 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: 5 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -800.744134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.744134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.744134 (E_RNA) where: Base-Base interactions energy: -452.655 where: short stacking energy: -205.580 Base-Backbone interact. energy: -1.966 local terms energy: -346.123269 where: bonds (distance) C4'-P energy: -76.914 bonds (distance) P-C4' energy: -93.788 flat angles C4'-P-C4' energy: -95.563 flat angles P-C4'-P energy: -48.783 tors. eta vs tors. theta energy: -31.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -605.171201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.171201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.171201 (E_RNA) where: Base-Base interactions energy: -305.492 where: short stacking energy: -164.386 Base-Backbone interact. energy: -1.062 local terms energy: -298.616872 where: bonds (distance) C4'-P energy: -87.780 bonds (distance) P-C4' energy: -92.567 flat angles C4'-P-C4' energy: -70.128 flat angles P-C4'-P energy: -42.883 tors. eta vs tors. theta energy: -5.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -448.440883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.440883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.440883 (E_RNA) where: Base-Base interactions energy: -190.708 where: short stacking energy: -127.612 Base-Backbone interact. energy: 1.981 local terms energy: -259.713213 where: bonds (distance) C4'-P energy: -71.345 bonds (distance) P-C4' energy: -91.679 flat angles C4'-P-C4' energy: -67.017 flat angles P-C4'-P energy: -37.812 tors. eta vs tors. theta energy: 8.141 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: 7 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1620.749078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.749078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.749078 (E_RNA) where: Base-Base interactions energy: -1129.427 where: short stacking energy: -454.396 Base-Backbone interact. energy: -4.404 local terms energy: -486.917550 where: bonds (distance) C4'-P energy: -92.421 bonds (distance) P-C4' energy: -93.869 flat angles C4'-P-C4' energy: -111.200 flat angles P-C4'-P energy: -67.349 tors. eta vs tors. theta energy: -122.078 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: 2, replica: 2 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1578.373926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.373926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.373926 (E_RNA) where: Base-Base interactions energy: -1075.904 where: short stacking energy: -447.457 Base-Backbone interact. energy: 1.043 local terms energy: -503.513657 where: bonds (distance) C4'-P energy: -87.875 bonds (distance) P-C4' energy: -104.106 flat angles C4'-P-C4' energy: -113.117 flat angles P-C4'-P energy: -74.177 tors. eta vs tors. theta energy: -124.238 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: 8 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1457.228266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.228266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.228266 (E_RNA) where: Base-Base interactions energy: -987.804 where: short stacking energy: -469.390 Base-Backbone interact. energy: -1.627 local terms energy: -467.797316 where: bonds (distance) C4'-P energy: -87.571 bonds (distance) P-C4' energy: -89.179 flat angles C4'-P-C4' energy: -97.341 flat angles P-C4'-P energy: -76.512 tors. eta vs tors. theta energy: -117.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1366.659063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.659063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.659063 (E_RNA) where: Base-Base interactions energy: -920.982 where: short stacking energy: -404.789 Base-Backbone interact. energy: -1.196 local terms energy: -444.480806 where: bonds (distance) C4'-P energy: -86.580 bonds (distance) P-C4' energy: -95.461 flat angles C4'-P-C4' energy: -92.159 flat angles P-C4'-P energy: -60.019 tors. eta vs tors. theta energy: -110.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1361.334734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.334734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.334734 (E_RNA) where: Base-Base interactions energy: -893.782 where: short stacking energy: -399.831 Base-Backbone interact. energy: -1.951 local terms energy: -465.601823 where: bonds (distance) C4'-P energy: -85.110 bonds (distance) P-C4' energy: -97.960 flat angles C4'-P-C4' energy: -93.135 flat angles P-C4'-P energy: -73.559 tors. eta vs tors. theta energy: -115.838 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: 4 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1126.198091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.198091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.198091 (E_RNA) where: Base-Base interactions energy: -739.186 where: short stacking energy: -315.109 Base-Backbone interact. energy: 4.084 local terms energy: -391.095467 where: bonds (distance) C4'-P energy: -82.573 bonds (distance) P-C4' energy: -78.395 flat angles C4'-P-C4' energy: -100.547 flat angles P-C4'-P energy: -57.754 tors. eta vs tors. theta energy: -71.827 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: 6 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -906.997039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.997039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.997039 (E_RNA) where: Base-Base interactions energy: -568.724 where: short stacking energy: -256.113 Base-Backbone interact. energy: -2.458 local terms energy: -335.815252 where: bonds (distance) C4'-P energy: -79.270 bonds (distance) P-C4' energy: -88.126 flat angles C4'-P-C4' energy: -84.650 flat angles P-C4'-P energy: -53.583 tors. eta vs tors. theta energy: -30.187 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: 5 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -805.359633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.359633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.359633 (E_RNA) where: Base-Base interactions energy: -497.426 where: short stacking energy: -236.834 Base-Backbone interact. energy: 2.562 local terms energy: -310.495408 where: bonds (distance) C4'-P energy: -78.579 bonds (distance) P-C4' energy: -63.414 flat angles C4'-P-C4' energy: -83.408 flat angles P-C4'-P energy: -51.091 tors. eta vs tors. theta energy: -34.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -620.425336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.425336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.425336 (E_RNA) where: Base-Base interactions energy: -296.493 where: short stacking energy: -194.623 Base-Backbone interact. energy: -0.711 local terms energy: -323.221226 where: bonds (distance) C4'-P energy: -94.734 bonds (distance) P-C4' energy: -97.735 flat angles C4'-P-C4' energy: -70.312 flat angles P-C4'-P energy: -40.767 tors. eta vs tors. theta energy: -19.673 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: 1 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -476.354932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.354932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.354932 (E_RNA) where: Base-Base interactions energy: -230.380 where: short stacking energy: -134.003 Base-Backbone interact. energy: -1.328 local terms energy: -244.646143 where: bonds (distance) C4'-P energy: -78.677 bonds (distance) P-C4' energy: -85.134 flat angles C4'-P-C4' energy: -54.346 flat angles P-C4'-P energy: -36.210 tors. eta vs tors. theta energy: 9.720 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: 2 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1622.368955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.368955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.368955 (E_RNA) where: Base-Base interactions energy: -1108.749 where: short stacking energy: -461.938 Base-Backbone interact. energy: -1.557 local terms energy: -512.062949 where: bonds (distance) C4'-P energy: -99.357 bonds (distance) P-C4' energy: -95.535 flat angles C4'-P-C4' energy: -104.017 flat angles P-C4'-P energy: -68.949 tors. eta vs tors. theta energy: -144.204 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: 2, replica: 7 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1593.679605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.679605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.679605 (E_RNA) where: Base-Base interactions energy: -1114.851 where: short stacking energy: -444.850 Base-Backbone interact. energy: -1.043 local terms energy: -477.786038 where: bonds (distance) C4'-P energy: -97.522 bonds (distance) P-C4' energy: -92.702 flat angles C4'-P-C4' energy: -113.223 flat angles P-C4'-P energy: -62.094 tors. eta vs tors. theta energy: -112.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1418.414168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.414168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.414168 (E_RNA) where: Base-Base interactions energy: -938.936 where: short stacking energy: -421.169 Base-Backbone interact. energy: -1.492 local terms energy: -477.986210 where: bonds (distance) C4'-P energy: -93.628 bonds (distance) P-C4' energy: -102.327 flat angles C4'-P-C4' energy: -100.134 flat angles P-C4'-P energy: -64.811 tors. eta vs tors. theta energy: -117.085 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: 8 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1409.245352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.245352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.245352 (E_RNA) where: Base-Base interactions energy: -959.045 where: short stacking energy: -420.204 Base-Backbone interact. energy: -2.295 local terms energy: -447.905958 where: bonds (distance) C4'-P energy: -78.854 bonds (distance) P-C4' energy: -101.154 flat angles C4'-P-C4' energy: -100.718 flat angles P-C4'-P energy: -63.480 tors. eta vs tors. theta energy: -103.700 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: 10 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1349.282131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.282131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.282131 (E_RNA) where: Base-Base interactions energy: -907.117 where: short stacking energy: -398.149 Base-Backbone interact. energy: -1.620 local terms energy: -440.544797 where: bonds (distance) C4'-P energy: -93.502 bonds (distance) P-C4' energy: -90.708 flat angles C4'-P-C4' energy: -100.779 flat angles P-C4'-P energy: -65.002 tors. eta vs tors. theta energy: -90.554 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: 4 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1144.063216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.063216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.063216 (E_RNA) where: Base-Base interactions energy: -750.536 where: short stacking energy: -325.214 Base-Backbone interact. energy: -0.976 local terms energy: -392.551056 where: bonds (distance) C4'-P energy: -81.980 bonds (distance) P-C4' energy: -76.422 flat angles C4'-P-C4' energy: -90.984 flat angles P-C4'-P energy: -61.643 tors. eta vs tors. theta energy: -81.521 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: 6 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -957.407440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.407440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.407440 (E_RNA) where: Base-Base interactions energy: -607.443 where: short stacking energy: -262.275 Base-Backbone interact. energy: -1.529 local terms energy: -348.435960 where: bonds (distance) C4'-P energy: -80.598 bonds (distance) P-C4' energy: -90.979 flat angles C4'-P-C4' energy: -98.367 flat angles P-C4'-P energy: -39.176 tors. eta vs tors. theta energy: -39.315 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: 5 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -815.617798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.617798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.617798 (E_RNA) where: Base-Base interactions energy: -485.563 where: short stacking energy: -211.049 Base-Backbone interact. energy: -0.755 local terms energy: -329.299023 where: bonds (distance) C4'-P energy: -80.904 bonds (distance) P-C4' energy: -91.215 flat angles C4'-P-C4' energy: -83.243 flat angles P-C4'-P energy: -48.948 tors. eta vs tors. theta energy: -24.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -574.969072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.969072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.969072 (E_RNA) where: Base-Base interactions energy: -271.115 where: short stacking energy: -161.746 Base-Backbone interact. energy: -1.242 local terms energy: -302.612506 where: bonds (distance) C4'-P energy: -78.701 bonds (distance) P-C4' energy: -76.686 flat angles C4'-P-C4' energy: -74.391 flat angles P-C4'-P energy: -54.552 tors. eta vs tors. theta energy: -18.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -451.879832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.879832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.879832 (E_RNA) where: Base-Base interactions energy: -206.658 where: short stacking energy: -128.252 Base-Backbone interact. energy: -1.624 local terms energy: -243.598182 where: bonds (distance) C4'-P energy: -62.085 bonds (distance) P-C4' energy: -93.132 flat angles C4'-P-C4' energy: -64.524 flat angles P-C4'-P energy: -37.240 tors. eta vs tors. theta energy: 13.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1643.113594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.113594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.113594 (E_RNA) where: Base-Base interactions energy: -1121.776 where: short stacking energy: -468.284 Base-Backbone interact. energy: -1.832 local terms energy: -519.505090 where: bonds (distance) C4'-P energy: -96.155 bonds (distance) P-C4' energy: -101.979 flat angles C4'-P-C4' energy: -114.019 flat angles P-C4'-P energy: -68.669 tors. eta vs tors. theta energy: -138.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1572.463110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.463110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.463110 (E_RNA) where: Base-Base interactions energy: -1100.522 where: short stacking energy: -450.883 Base-Backbone interact. energy: 1.326 local terms energy: -473.266651 where: bonds (distance) C4'-P energy: -94.391 bonds (distance) P-C4' energy: -103.257 flat angles C4'-P-C4' energy: -93.969 flat angles P-C4'-P energy: -67.222 tors. eta vs tors. theta energy: -114.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1425.908908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.908908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.908908 (E_RNA) where: Base-Base interactions energy: -950.661 where: short stacking energy: -424.508 Base-Backbone interact. energy: -1.322 local terms energy: -473.926285 where: bonds (distance) C4'-P energy: -91.300 bonds (distance) P-C4' energy: -90.689 flat angles C4'-P-C4' energy: -109.054 flat angles P-C4'-P energy: -65.432 tors. eta vs tors. theta energy: -117.452 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: 10 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1386.724705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.724705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.724705 (E_RNA) where: Base-Base interactions energy: -935.348 where: short stacking energy: -396.284 Base-Backbone interact. energy: -1.625 local terms energy: -449.751254 where: bonds (distance) C4'-P energy: -85.855 bonds (distance) P-C4' energy: -94.295 flat angles C4'-P-C4' energy: -92.417 flat angles P-C4'-P energy: -65.342 tors. eta vs tors. theta energy: -111.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1380.170685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.170685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.170685 (E_RNA) where: Base-Base interactions energy: -928.870 where: short stacking energy: -413.850 Base-Backbone interact. energy: -1.792 local terms energy: -449.508844 where: bonds (distance) C4'-P energy: -95.056 bonds (distance) P-C4' energy: -89.456 flat angles C4'-P-C4' energy: -88.671 flat angles P-C4'-P energy: -62.257 tors. eta vs tors. theta energy: -114.068 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: 4 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1166.092402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.092402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.092402 (E_RNA) where: Base-Base interactions energy: -771.410 where: short stacking energy: -311.444 Base-Backbone interact. energy: 3.349 local terms energy: -398.030965 where: bonds (distance) C4'-P energy: -91.884 bonds (distance) P-C4' energy: -92.179 flat angles C4'-P-C4' energy: -94.976 flat angles P-C4'-P energy: -47.708 tors. eta vs tors. theta energy: -71.285 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: 55 Temperature: 1.200000 Total energy: -977.494381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.494381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.494381 (E_RNA) where: Base-Base interactions energy: -610.570 where: short stacking energy: -279.708 Base-Backbone interact. energy: -0.508 local terms energy: -366.415694 where: bonds (distance) C4'-P energy: -79.155 bonds (distance) P-C4' energy: -83.112 flat angles C4'-P-C4' energy: -74.054 flat angles P-C4'-P energy: -64.397 tors. eta vs tors. theta energy: -65.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -814.428190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.428190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.428190 (E_RNA) where: Base-Base interactions energy: -485.453 where: short stacking energy: -224.933 Base-Backbone interact. energy: 2.062 local terms energy: -331.037896 where: bonds (distance) C4'-P energy: -72.864 bonds (distance) P-C4' energy: -86.645 flat angles C4'-P-C4' energy: -89.528 flat angles P-C4'-P energy: -52.770 tors. eta vs tors. theta energy: -29.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -529.944467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.944467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.944467 (E_RNA) where: Base-Base interactions energy: -242.785 where: short stacking energy: -157.155 Base-Backbone interact. energy: -2.606 local terms energy: -284.553091 where: bonds (distance) C4'-P energy: -89.102 bonds (distance) P-C4' energy: -73.975 flat angles C4'-P-C4' energy: -74.035 flat angles P-C4'-P energy: -43.408 tors. eta vs tors. theta energy: -4.034 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: 1 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -507.866489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.866489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.866489 (E_RNA) where: Base-Base interactions energy: -242.462 where: short stacking energy: -142.455 Base-Backbone interact. energy: -2.415 local terms energy: -262.989063 where: bonds (distance) C4'-P energy: -81.233 bonds (distance) P-C4' energy: -83.350 flat angles C4'-P-C4' energy: -63.785 flat angles P-C4'-P energy: -27.471 tors. eta vs tors. theta energy: -7.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1625.434060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.434060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.434060 (E_RNA) where: Base-Base interactions energy: -1118.475 where: short stacking energy: -481.705 Base-Backbone interact. energy: -2.563 local terms energy: -504.395871 where: bonds (distance) C4'-P energy: -94.811 bonds (distance) P-C4' energy: -94.774 flat angles C4'-P-C4' energy: -102.428 flat angles P-C4'-P energy: -68.197 tors. eta vs tors. theta energy: -144.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1572.091236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.091236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.091236 (E_RNA) where: Base-Base interactions energy: -1105.762 where: short stacking energy: -434.130 Base-Backbone interact. energy: 0.348 local terms energy: -466.677937 where: bonds (distance) C4'-P energy: -90.065 bonds (distance) P-C4' energy: -89.202 flat angles C4'-P-C4' energy: -110.422 flat angles P-C4'-P energy: -62.452 tors. eta vs tors. theta energy: -114.537 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: 3, replica: 3 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1456.026291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.026291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.026291 (E_RNA) where: Base-Base interactions energy: -985.727 where: short stacking energy: -457.370 Base-Backbone interact. energy: -1.674 local terms energy: -468.625560 where: bonds (distance) C4'-P energy: -90.306 bonds (distance) P-C4' energy: -82.454 flat angles C4'-P-C4' energy: -107.725 flat angles P-C4'-P energy: -62.518 tors. eta vs tors. theta energy: -125.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1422.364099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.364099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.364099 (E_RNA) where: Base-Base interactions energy: -968.522 where: short stacking energy: -422.119 Base-Backbone interact. energy: 0.928 local terms energy: -454.770228 where: bonds (distance) C4'-P energy: -78.229 bonds (distance) P-C4' energy: -91.295 flat angles C4'-P-C4' energy: -95.850 flat angles P-C4'-P energy: -73.801 tors. eta vs tors. theta energy: -115.595 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: 8 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1367.860791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.860791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.860791 (E_RNA) where: Base-Base interactions energy: -912.981 where: short stacking energy: -406.534 Base-Backbone interact. energy: 2.113 local terms energy: -456.993186 where: bonds (distance) C4'-P energy: -96.371 bonds (distance) P-C4' energy: -94.596 flat angles C4'-P-C4' energy: -96.200 flat angles P-C4'-P energy: -60.257 tors. eta vs tors. theta energy: -109.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1206.552982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.552982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.552982 (E_RNA) where: Base-Base interactions energy: -798.733 where: short stacking energy: -326.360 Base-Backbone interact. energy: -0.822 local terms energy: -406.997472 where: bonds (distance) C4'-P energy: -81.535 bonds (distance) P-C4' energy: -96.670 flat angles C4'-P-C4' energy: -80.817 flat angles P-C4'-P energy: -71.771 tors. eta vs tors. theta energy: -76.204 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: 6 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -987.468458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.468458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.468458 (E_RNA) where: Base-Base interactions energy: -612.894 where: short stacking energy: -296.527 Base-Backbone interact. energy: -2.393 local terms energy: -372.181434 where: bonds (distance) C4'-P energy: -76.958 bonds (distance) P-C4' energy: -82.381 flat angles C4'-P-C4' energy: -99.722 flat angles P-C4'-P energy: -50.515 tors. eta vs tors. theta energy: -62.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -801.853473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.853473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.853473 (E_RNA) where: Base-Base interactions energy: -478.517 where: short stacking energy: -234.334 Base-Backbone interact. energy: 2.366 local terms energy: -325.703197 where: bonds (distance) C4'-P energy: -88.282 bonds (distance) P-C4' energy: -91.252 flat angles C4'-P-C4' energy: -76.480 flat angles P-C4'-P energy: -39.080 tors. eta vs tors. theta energy: -30.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -586.984566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.984566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.984566 (E_RNA) where: Base-Base interactions energy: -296.161 where: short stacking energy: -168.650 Base-Backbone interact. energy: 0.699 local terms energy: -291.522831 where: bonds (distance) C4'-P energy: -78.177 bonds (distance) P-C4' energy: -85.318 flat angles C4'-P-C4' energy: -60.424 flat angles P-C4'-P energy: -47.873 tors. eta vs tors. theta energy: -19.732 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: 9 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -494.969331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.969331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.969331 (E_RNA) where: Base-Base interactions energy: -247.196 where: short stacking energy: -152.507 Base-Backbone interact. energy: 5.743 local terms energy: -253.516978 where: bonds (distance) C4'-P energy: -78.571 bonds (distance) P-C4' energy: -74.012 flat angles C4'-P-C4' energy: -53.803 flat angles P-C4'-P energy: -55.404 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: 2 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1642.440861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.440861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.440861 (E_RNA) where: Base-Base interactions energy: -1123.625 where: short stacking energy: -498.342 Base-Backbone interact. energy: -3.353 local terms energy: -515.462444 where: bonds (distance) C4'-P energy: -100.304 bonds (distance) P-C4' energy: -91.363 flat angles C4'-P-C4' energy: -102.430 flat angles P-C4'-P energy: -66.704 tors. eta vs tors. theta energy: -154.662 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: 7 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1574.645509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.645509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.645509 (E_RNA) where: Base-Base interactions energy: -1118.248 where: short stacking energy: -448.200 Base-Backbone interact. energy: 0.173 local terms energy: -456.570532 where: bonds (distance) C4'-P energy: -91.253 bonds (distance) P-C4' energy: -93.783 flat angles C4'-P-C4' energy: -97.339 flat angles P-C4'-P energy: -61.488 tors. eta vs tors. theta energy: -112.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1435.058869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.058869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.058869 (E_RNA) where: Base-Base interactions energy: -942.662 where: short stacking energy: -427.734 Base-Backbone interact. energy: -2.898 local terms energy: -489.498496 where: bonds (distance) C4'-P energy: -78.687 bonds (distance) P-C4' energy: -110.460 flat angles C4'-P-C4' energy: -103.610 flat angles P-C4'-P energy: -71.847 tors. eta vs tors. theta energy: -124.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1462.301958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.301958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.301958 (E_RNA) where: Base-Base interactions energy: -993.932 where: short stacking energy: -425.709 Base-Backbone interact. energy: -0.020 local terms energy: -468.350054 where: bonds (distance) C4'-P energy: -86.811 bonds (distance) P-C4' energy: -98.587 flat angles C4'-P-C4' energy: -98.443 flat angles P-C4'-P energy: -68.882 tors. eta vs tors. theta energy: -115.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1404.469595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.469595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.469595 (E_RNA) where: Base-Base interactions energy: -941.166 where: short stacking energy: -413.192 Base-Backbone interact. energy: -0.303 local terms energy: -463.000530 where: bonds (distance) C4'-P energy: -86.450 bonds (distance) P-C4' energy: -92.264 flat angles C4'-P-C4' energy: -97.403 flat angles P-C4'-P energy: -65.553 tors. eta vs tors. theta energy: -121.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1137.286978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.286978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.286978 (E_RNA) where: Base-Base interactions energy: -754.846 where: short stacking energy: -320.055 Base-Backbone interact. energy: 0.484 local terms energy: -382.924406 where: bonds (distance) C4'-P energy: -76.850 bonds (distance) P-C4' energy: -79.140 flat angles C4'-P-C4' energy: -93.600 flat angles P-C4'-P energy: -60.109 tors. eta vs tors. theta energy: -73.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -994.102429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.102429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.102429 (E_RNA) where: Base-Base interactions energy: -638.509 where: short stacking energy: -288.294 Base-Backbone interact. energy: -3.795 local terms energy: -351.798394 where: bonds (distance) C4'-P energy: -92.223 bonds (distance) P-C4' energy: -72.324 flat angles C4'-P-C4' energy: -78.278 flat angles P-C4'-P energy: -50.533 tors. eta vs tors. theta energy: -58.439 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: 5 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -799.908593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.908593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.908593 (E_RNA) where: Base-Base interactions energy: -485.122 where: short stacking energy: -227.779 Base-Backbone interact. energy: -0.120 local terms energy: -314.665662 where: bonds (distance) C4'-P energy: -77.193 bonds (distance) P-C4' energy: -70.376 flat angles C4'-P-C4' energy: -83.112 flat angles P-C4'-P energy: -51.461 tors. eta vs tors. theta energy: -32.523 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: 1 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -585.849719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.849719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.849719 (E_RNA) where: Base-Base interactions energy: -280.793 where: short stacking energy: -186.747 Base-Backbone interact. energy: -0.918 local terms energy: -304.138864 where: bonds (distance) C4'-P energy: -64.625 bonds (distance) P-C4' energy: -84.113 flat angles C4'-P-C4' energy: -74.302 flat angles P-C4'-P energy: -57.883 tors. eta vs tors. theta energy: -23.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -491.463607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.463607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.463607 (E_RNA) where: Base-Base interactions energy: -204.089 where: short stacking energy: -132.465 Base-Backbone interact. energy: -0.219 local terms energy: -287.155450 where: bonds (distance) C4'-P energy: -104.689 bonds (distance) P-C4' energy: -90.994 flat angles C4'-P-C4' energy: -51.378 flat angles P-C4'-P energy: -51.950 tors. eta vs tors. theta energy: 11.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1614.276870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.276870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.276870 (E_RNA) where: Base-Base interactions energy: -1129.607 where: short stacking energy: -458.708 Base-Backbone interact. energy: -1.612 local terms energy: -483.057463 where: bonds (distance) C4'-P energy: -87.932 bonds (distance) P-C4' energy: -100.068 flat angles C4'-P-C4' energy: -107.054 flat angles P-C4'-P energy: -65.949 tors. eta vs tors. theta energy: -122.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1592.028701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.028701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.028701 (E_RNA) where: Base-Base interactions energy: -1084.012 where: short stacking energy: -490.730 Base-Backbone interact. energy: -2.067 local terms energy: -505.949241 where: bonds (distance) C4'-P energy: -96.034 bonds (distance) P-C4' energy: -93.614 flat angles C4'-P-C4' energy: -102.545 flat angles P-C4'-P energy: -68.845 tors. eta vs tors. theta energy: -144.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1533.927148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.927148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.927148 (E_RNA) where: Base-Base interactions energy: -1053.429 where: short stacking energy: -447.993 Base-Backbone interact. energy: -2.100 local terms energy: -478.398197 where: bonds (distance) C4'-P energy: -96.111 bonds (distance) P-C4' energy: -88.027 flat angles C4'-P-C4' energy: -98.819 flat angles P-C4'-P energy: -69.115 tors. eta vs tors. theta energy: -126.327 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: 3 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1385.806474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.806474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.806474 (E_RNA) where: Base-Base interactions energy: -939.100 where: short stacking energy: -402.797 Base-Backbone interact. energy: -3.045 local terms energy: -443.661289 where: bonds (distance) C4'-P energy: -91.416 bonds (distance) P-C4' energy: -88.126 flat angles C4'-P-C4' energy: -91.695 flat angles P-C4'-P energy: -69.868 tors. eta vs tors. theta energy: -102.556 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: 8 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1403.407787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.407787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.407787 (E_RNA) where: Base-Base interactions energy: -978.350 where: short stacking energy: -425.239 Base-Backbone interact. energy: -1.225 local terms energy: -423.833511 where: bonds (distance) C4'-P energy: -76.376 bonds (distance) P-C4' energy: -82.166 flat angles C4'-P-C4' energy: -90.528 flat angles P-C4'-P energy: -56.228 tors. eta vs tors. theta energy: -118.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1175.773215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.773215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.773215 (E_RNA) where: Base-Base interactions energy: -783.419 where: short stacking energy: -339.183 Base-Backbone interact. energy: -2.701 local terms energy: -389.653257 where: bonds (distance) C4'-P energy: -71.314 bonds (distance) P-C4' energy: -92.690 flat angles C4'-P-C4' energy: -90.539 flat angles P-C4'-P energy: -58.276 tors. eta vs tors. theta energy: -76.834 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: 7, replica: 6 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -978.111030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.111030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.111030 (E_RNA) where: Base-Base interactions energy: -600.227 where: short stacking energy: -279.192 Base-Backbone interact. energy: -3.357 local terms energy: -374.526950 where: bonds (distance) C4'-P energy: -83.897 bonds (distance) P-C4' energy: -85.865 flat angles C4'-P-C4' energy: -91.876 flat angles P-C4'-P energy: -61.608 tors. eta vs tors. theta energy: -51.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -841.199701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.199701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.199701 (E_RNA) where: Base-Base interactions energy: -529.961 where: short stacking energy: -253.742 Base-Backbone interact. energy: 6.322 local terms energy: -317.560689 where: bonds (distance) C4'-P energy: -91.453 bonds (distance) P-C4' energy: -79.685 flat angles C4'-P-C4' energy: -61.535 flat angles P-C4'-P energy: -48.632 tors. eta vs tors. theta energy: -36.255 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: 1 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -575.660903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.660903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.660903 (E_RNA) where: Base-Base interactions energy: -294.146 where: short stacking energy: -147.745 Base-Backbone interact. energy: 5.254 local terms energy: -286.768181 where: bonds (distance) C4'-P energy: -83.067 bonds (distance) P-C4' energy: -84.285 flat angles C4'-P-C4' energy: -69.790 flat angles P-C4'-P energy: -53.579 tors. eta vs tors. theta energy: 3.952 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: 9 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -497.899234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.899234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.899234 (E_RNA) where: Base-Base interactions energy: -246.715 where: short stacking energy: -135.888 Base-Backbone interact. energy: -1.397 local terms energy: -249.787110 where: bonds (distance) C4'-P energy: -79.848 bonds (distance) P-C4' energy: -86.298 flat angles C4'-P-C4' energy: -56.943 flat angles P-C4'-P energy: -41.437 tors. eta vs tors. theta energy: 14.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1631.366374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.366374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.366374 (E_RNA) where: Base-Base interactions energy: -1140.652 where: short stacking energy: -447.215 Base-Backbone interact. energy: 1.943 local terms energy: -492.657238 where: bonds (distance) C4'-P energy: -90.845 bonds (distance) P-C4' energy: -92.111 flat angles C4'-P-C4' energy: -115.844 flat angles P-C4'-P energy: -65.450 tors. eta vs tors. theta energy: -128.408 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: 59 Temperature: 0.950000 Total energy: -1562.672329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.672329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.672329 (E_RNA) where: Base-Base interactions energy: -1058.922 where: short stacking energy: -487.500 Base-Backbone interact. energy: -1.496 local terms energy: -502.253958 where: bonds (distance) C4'-P energy: -96.208 bonds (distance) P-C4' energy: -96.138 flat angles C4'-P-C4' energy: -99.781 flat angles P-C4'-P energy: -68.692 tors. eta vs tors. theta energy: -141.434 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: 3, replica: 10 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1504.075120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.075120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.075120 (E_RNA) where: Base-Base interactions energy: -1027.872 where: short stacking energy: -436.677 Base-Backbone interact. energy: -0.377 local terms energy: -475.825796 where: bonds (distance) C4'-P energy: -87.427 bonds (distance) P-C4' energy: -74.002 flat angles C4'-P-C4' energy: -107.365 flat angles P-C4'-P energy: -75.226 tors. eta vs tors. theta energy: -131.805 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: 4, replica: 3 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1429.011244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.011244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.011244 (E_RNA) where: Base-Base interactions energy: -974.087 where: short stacking energy: -418.249 Base-Backbone interact. energy: -1.993 local terms energy: -452.931720 where: bonds (distance) C4'-P energy: -71.655 bonds (distance) P-C4' energy: -86.864 flat angles C4'-P-C4' energy: -105.891 flat angles P-C4'-P energy: -61.694 tors. eta vs tors. theta energy: -126.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1445.213363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.213363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.213363 (E_RNA) where: Base-Base interactions energy: -973.338 where: short stacking energy: -426.498 Base-Backbone interact. energy: 0.789 local terms energy: -472.664393 where: bonds (distance) C4'-P energy: -88.495 bonds (distance) P-C4' energy: -90.234 flat angles C4'-P-C4' energy: -112.420 flat angles P-C4'-P energy: -67.472 tors. eta vs tors. theta energy: -114.043 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: 4 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1188.067130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.067130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.067130 (E_RNA) where: Base-Base interactions energy: -815.358 where: short stacking energy: -336.005 Base-Backbone interact. energy: -2.016 local terms energy: -370.693916 where: bonds (distance) C4'-P energy: -71.841 bonds (distance) P-C4' energy: -83.443 flat angles C4'-P-C4' energy: -88.683 flat angles P-C4'-P energy: -53.130 tors. eta vs tors. theta energy: -73.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -972.928497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.928497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.928497 (E_RNA) where: Base-Base interactions energy: -591.886 where: short stacking energy: -269.678 Base-Backbone interact. energy: -1.427 local terms energy: -379.615420 where: bonds (distance) C4'-P energy: -84.352 bonds (distance) P-C4' energy: -95.523 flat angles C4'-P-C4' energy: -98.069 flat angles P-C4'-P energy: -46.251 tors. eta vs tors. theta energy: -55.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -811.943063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.943063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.943063 (E_RNA) where: Base-Base interactions energy: -485.567 where: short stacking energy: -244.348 Base-Backbone interact. energy: -3.218 local terms energy: -323.158049 where: bonds (distance) C4'-P energy: -73.958 bonds (distance) P-C4' energy: -83.136 flat angles C4'-P-C4' energy: -85.699 flat angles P-C4'-P energy: -35.117 tors. eta vs tors. theta energy: -45.247 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: 1 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -611.705229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.705229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.705229 (E_RNA) where: Base-Base interactions energy: -318.859 where: short stacking energy: -182.625 Base-Backbone interact. energy: 2.164 local terms energy: -295.009879 where: bonds (distance) C4'-P energy: -84.356 bonds (distance) P-C4' energy: -92.888 flat angles C4'-P-C4' energy: -66.550 flat angles P-C4'-P energy: -39.985 tors. eta vs tors. theta energy: -11.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -543.515742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.515742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.515742 (E_RNA) where: Base-Base interactions energy: -271.239 where: short stacking energy: -160.689 Base-Backbone interact. energy: 2.311 local terms energy: -274.588235 where: bonds (distance) C4'-P energy: -77.696 bonds (distance) P-C4' energy: -85.977 flat angles C4'-P-C4' energy: -71.924 flat angles P-C4'-P energy: -31.687 tors. eta vs tors. theta energy: -7.305 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: 7 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1628.944785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.944785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.944785 (E_RNA) where: Base-Base interactions energy: -1153.237 where: short stacking energy: -453.518 Base-Backbone interact. energy: -1.185 local terms energy: -474.522889 where: bonds (distance) C4'-P energy: -85.322 bonds (distance) P-C4' energy: -100.414 flat angles C4'-P-C4' energy: -109.952 flat angles P-C4'-P energy: -57.189 tors. eta vs tors. theta energy: -121.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1555.025360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.025360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.025360 (E_RNA) where: Base-Base interactions energy: -1053.458 where: short stacking energy: -483.935 Base-Backbone interact. energy: -1.757 local terms energy: -499.811148 where: bonds (distance) C4'-P energy: -80.585 bonds (distance) P-C4' energy: -100.003 flat angles C4'-P-C4' energy: -98.691 flat angles P-C4'-P energy: -68.889 tors. eta vs tors. theta energy: -151.644 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: 3, replica: 10 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1518.921673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.921673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.921673 (E_RNA) where: Base-Base interactions energy: -1025.457 where: short stacking energy: -430.406 Base-Backbone interact. energy: -0.645 local terms energy: -492.819374 where: bonds (distance) C4'-P energy: -87.608 bonds (distance) P-C4' energy: -98.352 flat angles C4'-P-C4' energy: -113.109 flat angles P-C4'-P energy: -68.347 tors. eta vs tors. theta energy: -125.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1411.612000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.612000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.612000 (E_RNA) where: Base-Base interactions energy: -950.574 where: short stacking energy: -412.965 Base-Backbone interact. energy: -2.871 local terms energy: -458.166337 where: bonds (distance) C4'-P energy: -87.849 bonds (distance) P-C4' energy: -91.411 flat angles C4'-P-C4' energy: -92.950 flat angles P-C4'-P energy: -63.480 tors. eta vs tors. theta energy: -122.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1416.803502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.803502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.803502 (E_RNA) where: Base-Base interactions energy: -964.344 where: short stacking energy: -439.667 Base-Backbone interact. energy: -3.455 local terms energy: -449.003811 where: bonds (distance) C4'-P energy: -89.221 bonds (distance) P-C4' energy: -85.906 flat angles C4'-P-C4' energy: -90.943 flat angles P-C4'-P energy: -57.299 tors. eta vs tors. theta energy: -125.635 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: 4 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1217.360625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.360625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.360625 (E_RNA) where: Base-Base interactions energy: -817.615 where: short stacking energy: -355.591 Base-Backbone interact. energy: 1.241 local terms energy: -400.985714 where: bonds (distance) C4'-P energy: -79.053 bonds (distance) P-C4' energy: -101.544 flat angles C4'-P-C4' energy: -96.376 flat angles P-C4'-P energy: -46.162 tors. eta vs tors. theta energy: -77.850 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: 60 Temperature: 1.200000 Total energy: -937.961348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.961348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.961348 (E_RNA) where: Base-Base interactions energy: -586.105 where: short stacking energy: -276.478 Base-Backbone interact. energy: -4.159 local terms energy: -347.697316 where: bonds (distance) C4'-P energy: -85.609 bonds (distance) P-C4' energy: -72.926 flat angles C4'-P-C4' energy: -78.064 flat angles P-C4'-P energy: -47.445 tors. eta vs tors. theta energy: -63.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -812.882390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.882390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.882390 (E_RNA) where: Base-Base interactions energy: -478.744 where: short stacking energy: -218.241 Base-Backbone interact. energy: 1.051 local terms energy: -335.189938 where: bonds (distance) C4'-P energy: -78.744 bonds (distance) P-C4' energy: -72.657 flat angles C4'-P-C4' energy: -92.758 flat angles P-C4'-P energy: -47.738 tors. eta vs tors. theta energy: -43.292 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: 9 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -648.955687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.955687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.955687 (E_RNA) where: Base-Base interactions energy: -342.602 where: short stacking energy: -189.127 Base-Backbone interact. energy: 0.105 local terms energy: -306.458538 where: bonds (distance) C4'-P energy: -78.374 bonds (distance) P-C4' energy: -87.146 flat angles C4'-P-C4' energy: -72.088 flat angles P-C4'-P energy: -41.514 tors. eta vs tors. theta energy: -27.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -525.816039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.816039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.816039 (E_RNA) where: Base-Base interactions energy: -256.995 where: short stacking energy: -162.998 Base-Backbone interact. energy: -2.529 local terms energy: -266.291173 where: bonds (distance) C4'-P energy: -75.939 bonds (distance) P-C4' energy: -79.606 flat angles C4'-P-C4' energy: -69.340 flat angles P-C4'-P energy: -48.561 tors. eta vs tors. theta energy: 7.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1611.161705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.161705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.161705 (E_RNA) where: Base-Base interactions energy: -1140.329 where: short stacking energy: -464.308 Base-Backbone interact. energy: -0.773 local terms energy: -470.059604 where: bonds (distance) C4'-P energy: -81.211 bonds (distance) P-C4' energy: -90.696 flat angles C4'-P-C4' energy: -98.485 flat angles P-C4'-P energy: -76.974 tors. eta vs tors. theta energy: -122.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1563.973568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.973568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.973568 (E_RNA) where: Base-Base interactions energy: -1075.725 where: short stacking energy: -473.813 Base-Backbone interact. energy: -1.970 local terms energy: -486.277909 where: bonds (distance) C4'-P energy: -86.385 bonds (distance) P-C4' energy: -89.172 flat angles C4'-P-C4' energy: -96.797 flat angles P-C4'-P energy: -72.730 tors. eta vs tors. theta energy: -141.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1519.991620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.991620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.991620 (E_RNA) where: Base-Base interactions energy: -1048.226 where: short stacking energy: -459.617 Base-Backbone interact. energy: -2.140 local terms energy: -469.625178 where: bonds (distance) C4'-P energy: -83.801 bonds (distance) P-C4' energy: -91.843 flat angles C4'-P-C4' energy: -100.894 flat angles P-C4'-P energy: -71.032 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: 4, replica: 8 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1486.779634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.779634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.779634 (E_RNA) where: Base-Base interactions energy: -1024.621 where: short stacking energy: -443.780 Base-Backbone interact. energy: -1.831 local terms energy: -460.327549 where: bonds (distance) C4'-P energy: -73.107 bonds (distance) P-C4' energy: -90.055 flat angles C4'-P-C4' energy: -104.580 flat angles P-C4'-P energy: -71.890 tors. eta vs tors. theta energy: -120.696 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: 3 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1384.727882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.727882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.727882 (E_RNA) where: Base-Base interactions energy: -908.608 where: short stacking energy: -411.267 Base-Backbone interact. energy: -1.604 local terms energy: -474.515229 where: bonds (distance) C4'-P energy: -96.596 bonds (distance) P-C4' energy: -103.724 flat angles C4'-P-C4' energy: -96.951 flat angles P-C4'-P energy: -65.955 tors. eta vs tors. theta energy: -111.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1196.716628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.716628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.716628 (E_RNA) where: Base-Base interactions energy: -815.064 where: short stacking energy: -336.487 Base-Backbone interact. energy: 8.140 local terms energy: -389.792376 where: bonds (distance) C4'-P energy: -85.785 bonds (distance) P-C4' energy: -83.867 flat angles C4'-P-C4' energy: -89.480 flat angles P-C4'-P energy: -61.799 tors. eta vs tors. theta energy: -68.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -941.447285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.447285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.447285 (E_RNA) where: Base-Base interactions energy: -577.896 where: short stacking energy: -277.143 Base-Backbone interact. energy: -3.804 local terms energy: -359.747213 where: bonds (distance) C4'-P energy: -80.497 bonds (distance) P-C4' energy: -83.235 flat angles C4'-P-C4' energy: -73.705 flat angles P-C4'-P energy: -55.332 tors. eta vs tors. theta energy: -66.979 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: 8, replica: 5 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -779.457864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.457864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.457864 (E_RNA) where: Base-Base interactions energy: -468.765 where: short stacking energy: -207.233 Base-Backbone interact. energy: -1.831 local terms energy: -308.861758 where: bonds (distance) C4'-P energy: -86.062 bonds (distance) P-C4' energy: -85.034 flat angles C4'-P-C4' energy: -71.932 flat angles P-C4'-P energy: -44.113 tors. eta vs tors. theta energy: -21.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -655.898037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.898037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.898037 (E_RNA) where: Base-Base interactions energy: -372.020 where: short stacking energy: -177.945 Base-Backbone interact. energy: 5.583 local terms energy: -289.461667 where: bonds (distance) C4'-P energy: -79.402 bonds (distance) P-C4' energy: -86.635 flat angles C4'-P-C4' energy: -67.105 flat angles P-C4'-P energy: -35.829 tors. eta vs tors. theta energy: -20.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -517.106064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.106064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.106064 (E_RNA) where: Base-Base interactions energy: -267.754 where: short stacking energy: -148.893 Base-Backbone interact. energy: -1.789 local terms energy: -247.562931 where: bonds (distance) C4'-P energy: -83.910 bonds (distance) P-C4' energy: -82.103 flat angles C4'-P-C4' energy: -64.728 flat angles P-C4'-P energy: -33.647 tors. eta vs tors. theta energy: 16.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1633.756457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.756457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.756457 (E_RNA) where: Base-Base interactions energy: -1141.839 where: short stacking energy: -464.378 Base-Backbone interact. energy: -0.929 local terms energy: -490.988622 where: bonds (distance) C4'-P energy: -89.397 bonds (distance) P-C4' energy: -94.204 flat angles C4'-P-C4' energy: -110.461 flat angles P-C4'-P energy: -70.663 tors. eta vs tors. theta energy: -126.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1596.722368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.722368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.722368 (E_RNA) where: Base-Base interactions energy: -1077.571 where: short stacking energy: -489.790 Base-Backbone interact. energy: -2.813 local terms energy: -516.338468 where: bonds (distance) C4'-P energy: -98.305 bonds (distance) P-C4' energy: -90.571 flat angles C4'-P-C4' energy: -116.590 flat angles P-C4'-P energy: -69.214 tors. eta vs tors. theta energy: -141.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1493.847305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.847305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.847305 (E_RNA) where: Base-Base interactions energy: -1014.950 where: short stacking energy: -432.340 Base-Backbone interact. energy: -1.737 local terms energy: -477.159774 where: bonds (distance) C4'-P energy: -92.580 bonds (distance) P-C4' energy: -85.231 flat angles C4'-P-C4' energy: -107.075 flat angles P-C4'-P energy: -75.784 tors. eta vs tors. theta energy: -116.490 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: 8 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1470.751142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.751142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.751142 (E_RNA) where: Base-Base interactions energy: -1024.299 where: short stacking energy: -451.901 Base-Backbone interact. energy: -0.569 local terms energy: -445.883799 where: bonds (distance) C4'-P energy: -78.253 bonds (distance) P-C4' energy: -87.958 flat angles C4'-P-C4' energy: -90.544 flat angles P-C4'-P energy: -69.295 tors. eta vs tors. theta energy: -119.833 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: 3 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1357.714686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.714686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.714686 (E_RNA) where: Base-Base interactions energy: -882.635 where: short stacking energy: -381.252 Base-Backbone interact. energy: -4.640 local terms energy: -470.439760 where: bonds (distance) C4'-P energy: -87.022 bonds (distance) P-C4' energy: -92.581 flat angles C4'-P-C4' energy: -95.932 flat angles P-C4'-P energy: -77.683 tors. eta vs tors. theta energy: -117.222 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: 4 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1135.678470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.678470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.678470 (E_RNA) where: Base-Base interactions energy: -744.439 where: short stacking energy: -328.175 Base-Backbone interact. energy: -2.531 local terms energy: -388.708497 where: bonds (distance) C4'-P energy: -73.636 bonds (distance) P-C4' energy: -98.429 flat angles C4'-P-C4' energy: -84.281 flat angles P-C4'-P energy: -58.632 tors. eta vs tors. theta energy: -73.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -979.255931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.255931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.255931 (E_RNA) where: Base-Base interactions energy: -613.795 where: short stacking energy: -275.539 Base-Backbone interact. energy: -0.358 local terms energy: -365.102467 where: bonds (distance) C4'-P energy: -91.076 bonds (distance) P-C4' energy: -91.405 flat angles C4'-P-C4' energy: -76.291 flat angles P-C4'-P energy: -57.201 tors. eta vs tors. theta energy: -49.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -807.599059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.599059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.599059 (E_RNA) where: Base-Base interactions energy: -469.253 where: short stacking energy: -235.923 Base-Backbone interact. energy: 0.586 local terms energy: -338.931558 where: bonds (distance) C4'-P energy: -81.922 bonds (distance) P-C4' energy: -87.024 flat angles C4'-P-C4' energy: -77.522 flat angles P-C4'-P energy: -49.722 tors. eta vs tors. theta energy: -42.742 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: 9 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -644.579023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.579023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.579023 (E_RNA) where: Base-Base interactions energy: -338.976 where: short stacking energy: -164.748 Base-Backbone interact. energy: -1.575 local terms energy: -304.027405 where: bonds (distance) C4'-P energy: -86.717 bonds (distance) P-C4' energy: -93.977 flat angles C4'-P-C4' energy: -66.455 flat angles P-C4'-P energy: -49.348 tors. eta vs tors. theta energy: -7.530 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: 10, replica: 1 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -582.483588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.483588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.483588 (E_RNA) where: Base-Base interactions energy: -308.107 where: short stacking energy: -163.260 Base-Backbone interact. energy: 0.660 local terms energy: -275.036043 where: bonds (distance) C4'-P energy: -75.238 bonds (distance) P-C4' energy: -87.964 flat angles C4'-P-C4' energy: -81.289 flat angles P-C4'-P energy: -34.597 tors. eta vs tors. theta energy: 4.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1584.407925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.407925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.407925 (E_RNA) where: Base-Base interactions energy: -1097.071 where: short stacking energy: -454.320 Base-Backbone interact. energy: 0.550 local terms energy: -487.887536 where: bonds (distance) C4'-P energy: -99.882 bonds (distance) P-C4' energy: -99.664 flat angles C4'-P-C4' energy: -99.214 flat angles P-C4'-P energy: -68.395 tors. eta vs tors. theta energy: -120.733 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: 63 Temperature: 0.950000 Total energy: -1591.658983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.658983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.658983 (E_RNA) where: Base-Base interactions energy: -1080.697 where: short stacking energy: -479.160 Base-Backbone interact. energy: -2.572 local terms energy: -508.389884 where: bonds (distance) C4'-P energy: -105.567 bonds (distance) P-C4' energy: -97.536 flat angles C4'-P-C4' energy: -99.650 flat angles P-C4'-P energy: -66.896 tors. eta vs tors. theta energy: -138.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1477.160643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.160643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.160643 (E_RNA) where: Base-Base interactions energy: -1000.857 where: short stacking energy: -436.445 Base-Backbone interact. energy: 0.172 local terms energy: -476.475643 where: bonds (distance) C4'-P energy: -92.954 bonds (distance) P-C4' energy: -94.269 flat angles C4'-P-C4' energy: -109.205 flat angles P-C4'-P energy: -66.236 tors. eta vs tors. theta energy: -113.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1479.298110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.298110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.298110 (E_RNA) where: Base-Base interactions energy: -1022.897 where: short stacking energy: -449.152 Base-Backbone interact. energy: -2.376 local terms energy: -454.024559 where: bonds (distance) C4'-P energy: -73.629 bonds (distance) P-C4' energy: -89.203 flat angles C4'-P-C4' energy: -101.279 flat angles P-C4'-P energy: -65.315 tors. eta vs tors. theta energy: -124.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1295.171248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.171248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.171248 (E_RNA) where: Base-Base interactions energy: -864.051 where: short stacking energy: -389.805 Base-Backbone interact. energy: 3.175 local terms energy: -434.295057 where: bonds (distance) C4'-P energy: -78.366 bonds (distance) P-C4' energy: -84.627 flat angles C4'-P-C4' energy: -92.096 flat angles P-C4'-P energy: -67.882 tors. eta vs tors. theta energy: -111.326 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: 4 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1146.193582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.193582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.193582 (E_RNA) where: Base-Base interactions energy: -776.278 where: short stacking energy: -315.738 Base-Backbone interact. energy: -2.850 local terms energy: -367.065189 where: bonds (distance) C4'-P energy: -86.706 bonds (distance) P-C4' energy: -85.818 flat angles C4'-P-C4' energy: -79.600 flat angles P-C4'-P energy: -48.866 tors. eta vs tors. theta energy: -66.075 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: 63 Temperature: 1.200000 Total energy: -951.115359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.115359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.115359 (E_RNA) where: Base-Base interactions energy: -593.173 where: short stacking energy: -259.626 Base-Backbone interact. energy: -0.261 local terms energy: -357.681147 where: bonds (distance) C4'-P energy: -77.112 bonds (distance) P-C4' energy: -87.110 flat angles C4'-P-C4' energy: -82.152 flat angles P-C4'-P energy: -67.135 tors. eta vs tors. theta energy: -44.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -755.824886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.824886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.824886 (E_RNA) where: Base-Base interactions energy: -435.623 where: short stacking energy: -223.209 Base-Backbone interact. energy: -2.088 local terms energy: -318.113247 where: bonds (distance) C4'-P energy: -67.698 bonds (distance) P-C4' energy: -82.923 flat angles C4'-P-C4' energy: -78.408 flat angles P-C4'-P energy: -58.686 tors. eta vs tors. theta energy: -30.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -645.958333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.958333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.958333 (E_RNA) where: Base-Base interactions energy: -339.245 where: short stacking energy: -183.773 Base-Backbone interact. energy: -0.977 local terms energy: -305.736212 where: bonds (distance) C4'-P energy: -86.297 bonds (distance) P-C4' energy: -82.330 flat angles C4'-P-C4' energy: -62.439 flat angles P-C4'-P energy: -46.168 tors. eta vs tors. theta energy: -28.502 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: 1 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -557.380932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.380932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.380932 (E_RNA) where: Base-Base interactions energy: -313.230 where: short stacking energy: -178.120 Base-Backbone interact. energy: 1.917 local terms energy: -246.067448 where: bonds (distance) C4'-P energy: -67.406 bonds (distance) P-C4' energy: -67.254 flat angles C4'-P-C4' energy: -72.564 flat angles P-C4'-P energy: -30.073 tors. eta vs tors. theta energy: -8.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1614.528439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.528439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.528439 (E_RNA) where: Base-Base interactions energy: -1135.104 where: short stacking energy: -452.400 Base-Backbone interact. energy: -1.091 local terms energy: -478.333993 where: bonds (distance) C4'-P energy: -99.897 bonds (distance) P-C4' energy: -92.830 flat angles C4'-P-C4' energy: -105.312 flat angles P-C4'-P energy: -60.708 tors. eta vs tors. theta energy: -119.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1565.908659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.908659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.908659 (E_RNA) where: Base-Base interactions energy: -1061.786 where: short stacking energy: -480.361 Base-Backbone interact. energy: -2.644 local terms energy: -501.478423 where: bonds (distance) C4'-P energy: -95.142 bonds (distance) P-C4' energy: -91.305 flat angles C4'-P-C4' energy: -107.094 flat angles P-C4'-P energy: -73.109 tors. eta vs tors. theta energy: -134.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1510.742151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.742151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.742151 (E_RNA) where: Base-Base interactions energy: -1027.704 where: short stacking energy: -442.534 Base-Backbone interact. energy: -2.358 local terms energy: -480.680192 where: bonds (distance) C4'-P energy: -89.326 bonds (distance) P-C4' energy: -86.287 flat angles C4'-P-C4' energy: -98.007 flat angles P-C4'-P energy: -77.109 tors. eta vs tors. theta energy: -129.952 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: 4, replica: 10 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1445.391011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.391011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.391011 (E_RNA) where: Base-Base interactions energy: -994.314 where: short stacking energy: -419.522 Base-Backbone interact. energy: 0.946 local terms energy: -452.023135 where: bonds (distance) C4'-P energy: -85.030 bonds (distance) P-C4' energy: -90.935 flat angles C4'-P-C4' energy: -103.116 flat angles P-C4'-P energy: -64.246 tors. eta vs tors. theta energy: -108.697 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: 5, replica: 3 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1332.275797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.275797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.275797 (E_RNA) where: Base-Base interactions energy: -893.572 where: short stacking energy: -419.188 Base-Backbone interact. energy: 4.801 local terms energy: -443.504532 where: bonds (distance) C4'-P energy: -66.134 bonds (distance) P-C4' energy: -96.029 flat angles C4'-P-C4' energy: -102.695 flat angles P-C4'-P energy: -62.866 tors. eta vs tors. theta energy: -115.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1106.986589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.986589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.986589 (E_RNA) where: Base-Base interactions energy: -697.545 where: short stacking energy: -308.973 Base-Backbone interact. energy: -4.155 local terms energy: -405.286769 where: bonds (distance) C4'-P energy: -91.535 bonds (distance) P-C4' energy: -87.899 flat angles C4'-P-C4' energy: -94.966 flat angles P-C4'-P energy: -53.037 tors. eta vs tors. theta energy: -77.850 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: 64 Temperature: 1.200000 Total energy: -977.811321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.811321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.811321 (E_RNA) where: Base-Base interactions energy: -618.519 where: short stacking energy: -277.856 Base-Backbone interact. energy: -1.091 local terms energy: -358.200599 where: bonds (distance) C4'-P energy: -72.264 bonds (distance) P-C4' energy: -77.803 flat angles C4'-P-C4' energy: -96.747 flat angles P-C4'-P energy: -49.696 tors. eta vs tors. theta energy: -61.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -809.653432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.653432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.653432 (E_RNA) where: Base-Base interactions energy: -487.501 where: short stacking energy: -218.385 Base-Backbone interact. energy: 2.326 local terms energy: -324.478997 where: bonds (distance) C4'-P energy: -71.635 bonds (distance) P-C4' energy: -83.162 flat angles C4'-P-C4' energy: -72.317 flat angles P-C4'-P energy: -57.777 tors. eta vs tors. theta energy: -39.588 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: 9 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -636.204439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.204439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.204439 (E_RNA) where: Base-Base interactions energy: -330.291 where: short stacking energy: -174.561 Base-Backbone interact. energy: -1.211 local terms energy: -304.702639 where: bonds (distance) C4'-P energy: -81.415 bonds (distance) P-C4' energy: -93.970 flat angles C4'-P-C4' energy: -70.313 flat angles P-C4'-P energy: -40.521 tors. eta vs tors. theta energy: -18.483 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: 1 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -567.645877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.645877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.645877 (E_RNA) where: Base-Base interactions energy: -279.009 where: short stacking energy: -144.155 Base-Backbone interact. energy: -0.266 local terms energy: -288.370800 where: bonds (distance) C4'-P energy: -83.638 bonds (distance) P-C4' energy: -96.626 flat angles C4'-P-C4' energy: -74.570 flat angles P-C4'-P energy: -41.801 tors. eta vs tors. theta energy: 8.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1601.896303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.896303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.896303 (E_RNA) where: Base-Base interactions energy: -1101.656 where: short stacking energy: -444.358 Base-Backbone interact. energy: -1.114 local terms energy: -499.125955 where: bonds (distance) C4'-P energy: -94.786 bonds (distance) P-C4' energy: -95.282 flat angles C4'-P-C4' energy: -112.578 flat angles P-C4'-P energy: -70.540 tors. eta vs tors. theta energy: -125.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1587.351671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.351671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.351671 (E_RNA) where: Base-Base interactions energy: -1094.492 where: short stacking energy: -462.044 Base-Backbone interact. energy: -1.705 local terms energy: -491.154632 where: bonds (distance) C4'-P energy: -89.787 bonds (distance) P-C4' energy: -95.554 flat angles C4'-P-C4' energy: -101.593 flat angles P-C4'-P energy: -67.891 tors. eta vs tors. theta energy: -136.330 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: 8 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1544.637376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.637376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.637376 (E_RNA) where: Base-Base interactions energy: -1059.307 where: short stacking energy: -466.857 Base-Backbone interact. energy: -2.039 local terms energy: -483.291448 where: bonds (distance) C4'-P energy: -88.022 bonds (distance) P-C4' energy: -99.380 flat angles C4'-P-C4' energy: -107.264 flat angles P-C4'-P energy: -54.928 tors. eta vs tors. theta energy: -133.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1464.074781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.074781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.074781 (E_RNA) where: Base-Base interactions energy: -1018.855 where: short stacking energy: -412.626 Base-Backbone interact. energy: 0.774 local terms energy: -445.992970 where: bonds (distance) C4'-P energy: -80.517 bonds (distance) P-C4' energy: -101.880 flat angles C4'-P-C4' energy: -82.738 flat angles P-C4'-P energy: -70.046 tors. eta vs tors. theta energy: -110.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1302.981729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.981729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.981729 (E_RNA) where: Base-Base interactions energy: -861.770 where: short stacking energy: -395.953 Base-Backbone interact. energy: 0.848 local terms energy: -442.060152 where: bonds (distance) C4'-P energy: -85.522 bonds (distance) P-C4' energy: -87.661 flat angles C4'-P-C4' energy: -93.685 flat angles P-C4'-P energy: -61.274 tors. eta vs tors. theta energy: -113.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1107.639701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.639701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.639701 (E_RNA) where: Base-Base interactions energy: -725.081 where: short stacking energy: -332.732 Base-Backbone interact. energy: 0.956 local terms energy: -383.514238 where: bonds (distance) C4'-P energy: -93.036 bonds (distance) P-C4' energy: -75.121 flat angles C4'-P-C4' energy: -85.319 flat angles P-C4'-P energy: -52.829 tors. eta vs tors. theta energy: -77.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -973.106283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.106283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.106283 (E_RNA) where: Base-Base interactions energy: -600.077 where: short stacking energy: -280.025 Base-Backbone interact. energy: 0.101 local terms energy: -373.129490 where: bonds (distance) C4'-P energy: -85.571 bonds (distance) P-C4' energy: -79.441 flat angles C4'-P-C4' energy: -88.608 flat angles P-C4'-P energy: -55.493 tors. eta vs tors. theta energy: -64.017 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: 5 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -828.846177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.846177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.846177 (E_RNA) where: Base-Base interactions energy: -494.878 where: short stacking energy: -239.589 Base-Backbone interact. energy: 0.997 local terms energy: -334.964796 where: bonds (distance) C4'-P energy: -78.100 bonds (distance) P-C4' energy: -76.760 flat angles C4'-P-C4' energy: -85.609 flat angles P-C4'-P energy: -64.655 tors. eta vs tors. theta energy: -29.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -674.091261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.091261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.091261 (E_RNA) where: Base-Base interactions energy: -363.365 where: short stacking energy: -186.386 Base-Backbone interact. energy: 0.337 local terms energy: -311.063641 where: bonds (distance) C4'-P energy: -74.604 bonds (distance) P-C4' energy: -84.288 flat angles C4'-P-C4' energy: -82.500 flat angles P-C4'-P energy: -48.548 tors. eta vs tors. theta energy: -21.124 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: 1 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -603.590401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.590401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.590401 (E_RNA) where: Base-Base interactions energy: -337.365 where: short stacking energy: -190.697 Base-Backbone interact. energy: -2.706 local terms energy: -263.519184 where: bonds (distance) C4'-P energy: -70.431 bonds (distance) P-C4' energy: -76.558 flat angles C4'-P-C4' energy: -65.963 flat angles P-C4'-P energy: -36.209 tors. eta vs tors. theta energy: -14.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1655.377951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.377951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.377951 (E_RNA) where: Base-Base interactions energy: -1146.309 where: short stacking energy: -485.913 Base-Backbone interact. energy: 0.963 local terms energy: -510.030996 where: bonds (distance) C4'-P energy: -102.270 bonds (distance) P-C4' energy: -91.061 flat angles C4'-P-C4' energy: -109.527 flat angles P-C4'-P energy: -71.682 tors. eta vs tors. theta energy: -135.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1555.435305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.435305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.435305 (E_RNA) where: Base-Base interactions energy: -1083.713 where: short stacking energy: -444.782 Base-Backbone interact. energy: -2.849 local terms energy: -468.873684 where: bonds (distance) C4'-P energy: -94.286 bonds (distance) P-C4' energy: -85.547 flat angles C4'-P-C4' energy: -109.386 flat angles P-C4'-P energy: -55.854 tors. eta vs tors. theta energy: -123.800 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: 3, replica: 8 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1552.820713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.820713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.820713 (E_RNA) where: Base-Base interactions energy: -1065.355 where: short stacking energy: -448.624 Base-Backbone interact. energy: -3.468 local terms energy: -483.998040 where: bonds (distance) C4'-P energy: -91.968 bonds (distance) P-C4' energy: -98.100 flat angles C4'-P-C4' energy: -98.599 flat angles P-C4'-P energy: -70.388 tors. eta vs tors. theta energy: -124.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1481.891315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.891315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.891315 (E_RNA) where: Base-Base interactions energy: -1018.225 where: short stacking energy: -418.174 Base-Backbone interact. energy: -5.103 local terms energy: -458.563055 where: bonds (distance) C4'-P energy: -86.030 bonds (distance) P-C4' energy: -100.712 flat angles C4'-P-C4' energy: -95.280 flat angles P-C4'-P energy: -66.858 tors. eta vs tors. theta energy: -109.683 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: 3 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1302.024881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.024881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.024881 (E_RNA) where: Base-Base interactions energy: -857.836 where: short stacking energy: -379.011 Base-Backbone interact. energy: -2.130 local terms energy: -442.058898 where: bonds (distance) C4'-P energy: -87.253 bonds (distance) P-C4' energy: -85.005 flat angles C4'-P-C4' energy: -100.063 flat angles P-C4'-P energy: -59.987 tors. eta vs tors. theta energy: -109.750 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: 6, replica: 4 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1126.483909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.483909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.483909 (E_RNA) where: Base-Base interactions energy: -726.238 where: short stacking energy: -327.250 Base-Backbone interact. energy: 0.813 local terms energy: -401.058045 where: bonds (distance) C4'-P energy: -83.381 bonds (distance) P-C4' energy: -94.578 flat angles C4'-P-C4' energy: -100.673 flat angles P-C4'-P energy: -39.525 tors. eta vs tors. theta energy: -82.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1003.251803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.251803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.251803 (E_RNA) where: Base-Base interactions energy: -630.092 where: short stacking energy: -285.589 Base-Backbone interact. energy: 1.538 local terms energy: -374.697231 where: bonds (distance) C4'-P energy: -91.559 bonds (distance) P-C4' energy: -77.676 flat angles C4'-P-C4' energy: -93.699 flat angles P-C4'-P energy: -49.159 tors. eta vs tors. theta energy: -62.604 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: 5 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -802.892155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.892155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.892155 (E_RNA) where: Base-Base interactions energy: -473.520 where: short stacking energy: -209.100 Base-Backbone interact. energy: -1.236 local terms energy: -328.135923 where: bonds (distance) C4'-P energy: -87.435 bonds (distance) P-C4' energy: -77.439 flat angles C4'-P-C4' energy: -72.365 flat angles P-C4'-P energy: -55.338 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: 9, replica: 1 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -643.079482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.079482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.079482 (E_RNA) where: Base-Base interactions energy: -346.855 where: short stacking energy: -172.887 Base-Backbone interact. energy: 3.395 local terms energy: -299.619265 where: bonds (distance) C4'-P energy: -74.814 bonds (distance) P-C4' energy: -89.686 flat angles C4'-P-C4' energy: -87.355 flat angles P-C4'-P energy: -42.480 tors. eta vs tors. theta energy: -5.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -680.424918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.424918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.424918 (E_RNA) where: Base-Base interactions energy: -387.727 where: short stacking energy: -180.179 Base-Backbone interact. energy: -0.700 local terms energy: -291.998328 where: bonds (distance) C4'-P energy: -66.934 bonds (distance) P-C4' energy: -86.709 flat angles C4'-P-C4' energy: -69.262 flat angles P-C4'-P energy: -45.817 tors. eta vs tors. theta energy: -23.276 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: 2 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1621.873676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.873676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.873676 (E_RNA) where: Base-Base interactions energy: -1111.748 where: short stacking energy: -484.908 Base-Backbone interact. energy: -1.618 local terms energy: -508.506769 where: bonds (distance) C4'-P energy: -93.575 bonds (distance) P-C4' energy: -96.269 flat angles C4'-P-C4' energy: -110.512 flat angles P-C4'-P energy: -78.864 tors. eta vs tors. theta energy: -129.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1569.967006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.967006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.967006 (E_RNA) where: Base-Base interactions energy: -1095.474 where: short stacking energy: -456.490 Base-Backbone interact. energy: 2.063 local terms energy: -476.556288 where: bonds (distance) C4'-P energy: -83.825 bonds (distance) P-C4' energy: -96.023 flat angles C4'-P-C4' energy: -109.165 flat angles P-C4'-P energy: -69.889 tors. eta vs tors. theta energy: -117.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1562.224921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.224921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.224921 (E_RNA) where: Base-Base interactions energy: -1074.573 where: short stacking energy: -472.096 Base-Backbone interact. energy: -0.458 local terms energy: -487.193813 where: bonds (distance) C4'-P energy: -84.503 bonds (distance) P-C4' energy: -93.376 flat angles C4'-P-C4' energy: -112.043 flat angles P-C4'-P energy: -73.919 tors. eta vs tors. theta energy: -123.352 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: 4, replica: 10 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1487.028371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.028371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.028371 (E_RNA) where: Base-Base interactions energy: -1023.101 where: short stacking energy: -428.862 Base-Backbone interact. energy: 0.570 local terms energy: -464.497309 where: bonds (distance) C4'-P energy: -72.704 bonds (distance) P-C4' energy: -95.363 flat angles C4'-P-C4' energy: -109.362 flat angles P-C4'-P energy: -74.108 tors. eta vs tors. theta energy: -112.960 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: 3 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1289.720665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.720665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.720665 (E_RNA) where: Base-Base interactions energy: -862.214 where: short stacking energy: -376.821 Base-Backbone interact. energy: -2.734 local terms energy: -424.772245 where: bonds (distance) C4'-P energy: -85.960 bonds (distance) P-C4' energy: -90.654 flat angles C4'-P-C4' energy: -89.377 flat angles P-C4'-P energy: -63.091 tors. eta vs tors. theta energy: -95.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1093.443903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.443903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.443903 (E_RNA) where: Base-Base interactions energy: -713.542 where: short stacking energy: -312.149 Base-Backbone interact. energy: -0.079 local terms energy: -379.822580 where: bonds (distance) C4'-P energy: -72.916 bonds (distance) P-C4' energy: -88.430 flat angles C4'-P-C4' energy: -87.358 flat angles P-C4'-P energy: -53.580 tors. eta vs tors. theta energy: -77.539 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: 7, replica: 6 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -970.978161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.978161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.978161 (E_RNA) where: Base-Base interactions energy: -582.097 where: short stacking energy: -284.720 Base-Backbone interact. energy: -1.328 local terms energy: -387.552804 where: bonds (distance) C4'-P energy: -87.474 bonds (distance) P-C4' energy: -81.151 flat angles C4'-P-C4' energy: -86.939 flat angles P-C4'-P energy: -55.690 tors. eta vs tors. theta energy: -76.299 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: 5 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -778.084969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.084969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.084969 (E_RNA) where: Base-Base interactions energy: -484.132 where: short stacking energy: -254.912 Base-Backbone interact. energy: 1.503 local terms energy: -295.456255 where: bonds (distance) C4'-P energy: -69.600 bonds (distance) P-C4' energy: -79.496 flat angles C4'-P-C4' energy: -66.575 flat angles P-C4'-P energy: -48.910 tors. eta vs tors. theta energy: -30.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -665.243287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.243287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.243287 (E_RNA) where: Base-Base interactions energy: -388.789 where: short stacking energy: -203.917 Base-Backbone interact. energy: -1.546 local terms energy: -274.908275 where: bonds (distance) C4'-P energy: -68.488 bonds (distance) P-C4' energy: -94.768 flat angles C4'-P-C4' energy: -67.693 flat angles P-C4'-P energy: -32.917 tors. eta vs tors. theta energy: -11.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -624.086366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.086366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.086366 (E_RNA) where: Base-Base interactions energy: -311.594 where: short stacking energy: -180.161 Base-Backbone interact. energy: -1.982 local terms energy: -310.510508 where: bonds (distance) C4'-P energy: -87.196 bonds (distance) P-C4' energy: -85.424 flat angles C4'-P-C4' energy: -70.950 flat angles P-C4'-P energy: -41.152 tors. eta vs tors. theta energy: -25.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1639.320819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.320819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.320819 (E_RNA) where: Base-Base interactions energy: -1113.461 where: short stacking energy: -498.412 Base-Backbone interact. energy: -1.280 local terms energy: -524.579679 where: bonds (distance) C4'-P energy: -106.985 bonds (distance) P-C4' energy: -87.355 flat angles C4'-P-C4' energy: -110.000 flat angles P-C4'-P energy: -79.860 tors. eta vs tors. theta energy: -140.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1536.178896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.178896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.178896 (E_RNA) where: Base-Base interactions energy: -1086.046 where: short stacking energy: -444.614 Base-Backbone interact. energy: 0.236 local terms energy: -450.368864 where: bonds (distance) C4'-P energy: -71.534 bonds (distance) P-C4' energy: -101.243 flat angles C4'-P-C4' energy: -105.838 flat angles P-C4'-P energy: -56.374 tors. eta vs tors. theta energy: -115.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1570.661235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.661235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.661235 (E_RNA) where: Base-Base interactions energy: -1069.889 where: short stacking energy: -464.314 Base-Backbone interact. energy: -2.404 local terms energy: -498.368305 where: bonds (distance) C4'-P energy: -90.699 bonds (distance) P-C4' energy: -90.514 flat angles C4'-P-C4' energy: -113.425 flat angles P-C4'-P energy: -63.785 tors. eta vs tors. theta energy: -139.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1454.065172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.065172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.065172 (E_RNA) where: Base-Base interactions energy: -987.665 where: short stacking energy: -402.801 Base-Backbone interact. energy: -2.664 local terms energy: -463.736312 where: bonds (distance) C4'-P energy: -83.125 bonds (distance) P-C4' energy: -98.934 flat angles C4'-P-C4' energy: -111.939 flat angles P-C4'-P energy: -57.902 tors. eta vs tors. theta energy: -111.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1305.272509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.272509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.272509 (E_RNA) where: Base-Base interactions energy: -853.845 where: short stacking energy: -383.627 Base-Backbone interact. energy: -0.801 local terms energy: -450.626464 where: bonds (distance) C4'-P energy: -94.629 bonds (distance) P-C4' energy: -77.251 flat angles C4'-P-C4' energy: -100.460 flat angles P-C4'-P energy: -72.309 tors. eta vs tors. theta energy: -105.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1126.121179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.121179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.121179 (E_RNA) where: Base-Base interactions energy: -733.036 where: short stacking energy: -329.271 Base-Backbone interact. energy: -2.791 local terms energy: -390.294323 where: bonds (distance) C4'-P energy: -87.526 bonds (distance) P-C4' energy: -87.781 flat angles C4'-P-C4' energy: -85.210 flat angles P-C4'-P energy: -59.733 tors. eta vs tors. theta energy: -70.044 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: 7, replica: 6 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -957.666773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.666773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.666773 (E_RNA) where: Base-Base interactions energy: -590.155 where: short stacking energy: -281.864 Base-Backbone interact. energy: 0.444 local terms energy: -367.955985 where: bonds (distance) C4'-P energy: -73.035 bonds (distance) P-C4' energy: -93.766 flat angles C4'-P-C4' energy: -98.534 flat angles P-C4'-P energy: -48.209 tors. eta vs tors. theta energy: -54.413 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: 5 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -761.724093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.724093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.724093 (E_RNA) where: Base-Base interactions energy: -411.487 where: short stacking energy: -211.663 Base-Backbone interact. energy: -3.201 local terms energy: -347.036007 where: bonds (distance) C4'-P energy: -88.645 bonds (distance) P-C4' energy: -87.987 flat angles C4'-P-C4' energy: -81.355 flat angles P-C4'-P energy: -50.048 tors. eta vs tors. theta energy: -39.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -650.878404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.878404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.878404 (E_RNA) where: Base-Base interactions energy: -371.000 where: short stacking energy: -207.989 Base-Backbone interact. energy: -0.596 local terms energy: -279.283022 where: bonds (distance) C4'-P energy: -57.576 bonds (distance) P-C4' energy: -79.448 flat angles C4'-P-C4' energy: -78.677 flat angles P-C4'-P energy: -49.630 tors. eta vs tors. theta energy: -13.952 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: 1 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -585.070295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.070295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.070295 (E_RNA) where: Base-Base interactions energy: -329.166 where: short stacking energy: -187.062 Base-Backbone interact. energy: -0.485 local terms energy: -255.420167 where: bonds (distance) C4'-P energy: -70.830 bonds (distance) P-C4' energy: -76.371 flat angles C4'-P-C4' energy: -75.964 flat angles P-C4'-P energy: -27.677 tors. eta vs tors. theta energy: -4.579 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: 69 Temperature: 0.900000 Total energy: -1647.477869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.477869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.477869 (E_RNA) where: Base-Base interactions energy: -1113.610 where: short stacking energy: -501.493 Base-Backbone interact. energy: -1.213 local terms energy: -532.654554 where: bonds (distance) C4'-P energy: -95.969 bonds (distance) P-C4' energy: -96.998 flat angles C4'-P-C4' energy: -113.966 flat angles P-C4'-P energy: -81.804 tors. eta vs tors. theta energy: -143.918 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: 8 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1588.425191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.425191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.425191 (E_RNA) where: Base-Base interactions energy: -1090.759 where: short stacking energy: -477.473 Base-Backbone interact. energy: -2.388 local terms energy: -495.278244 where: bonds (distance) C4'-P energy: -92.788 bonds (distance) P-C4' energy: -96.951 flat angles C4'-P-C4' energy: -100.557 flat angles P-C4'-P energy: -71.834 tors. eta vs tors. theta energy: -133.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1531.316265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.316265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.316265 (E_RNA) where: Base-Base interactions energy: -1067.783 where: short stacking energy: -449.724 Base-Backbone interact. energy: 3.786 local terms energy: -467.318895 where: bonds (distance) C4'-P energy: -92.965 bonds (distance) P-C4' energy: -91.170 flat angles C4'-P-C4' energy: -107.837 flat angles P-C4'-P energy: -59.060 tors. eta vs tors. theta energy: -116.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1488.572915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.572915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.572915 (E_RNA) where: Base-Base interactions energy: -1027.281 where: short stacking energy: -447.945 Base-Backbone interact. energy: -0.757 local terms energy: -460.535178 where: bonds (distance) C4'-P energy: -86.103 bonds (distance) P-C4' energy: -89.203 flat angles C4'-P-C4' energy: -104.668 flat angles P-C4'-P energy: -68.327 tors. eta vs tors. theta energy: -112.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1306.193238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.193238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.193238 (E_RNA) where: Base-Base interactions energy: -887.502 where: short stacking energy: -385.640 Base-Backbone interact. energy: -0.482 local terms energy: -418.209524 where: bonds (distance) C4'-P energy: -81.696 bonds (distance) P-C4' energy: -81.492 flat angles C4'-P-C4' energy: -89.470 flat angles P-C4'-P energy: -60.690 tors. eta vs tors. theta energy: -104.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1138.674817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.674817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.674817 (E_RNA) where: Base-Base interactions energy: -734.425 where: short stacking energy: -359.015 Base-Backbone interact. energy: 0.761 local terms energy: -405.010290 where: bonds (distance) C4'-P energy: -79.254 bonds (distance) P-C4' energy: -92.542 flat angles C4'-P-C4' energy: -90.457 flat angles P-C4'-P energy: -58.375 tors. eta vs tors. theta energy: -84.382 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: 6 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1015.900494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.900494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.900494 (E_RNA) where: Base-Base interactions energy: -658.353 where: short stacking energy: -296.017 Base-Backbone interact. energy: -0.116 local terms energy: -357.431556 where: bonds (distance) C4'-P energy: -81.620 bonds (distance) P-C4' energy: -81.353 flat angles C4'-P-C4' energy: -89.912 flat angles P-C4'-P energy: -54.292 tors. eta vs tors. theta energy: -50.254 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: 5 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -752.800365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.800365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.800365 (E_RNA) where: Base-Base interactions energy: -419.822 where: short stacking energy: -213.279 Base-Backbone interact. energy: -2.592 local terms energy: -330.386383 where: bonds (distance) C4'-P energy: -88.633 bonds (distance) P-C4' energy: -87.950 flat angles C4'-P-C4' energy: -74.200 flat angles P-C4'-P energy: -48.879 tors. eta vs tors. theta energy: -30.724 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: 9, replica: 9 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -679.671161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.671161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.671161 (E_RNA) where: Base-Base interactions energy: -404.216 where: short stacking energy: -203.119 Base-Backbone interact. energy: -2.400 local terms energy: -273.055157 where: bonds (distance) C4'-P energy: -65.585 bonds (distance) P-C4' energy: -79.478 flat angles C4'-P-C4' energy: -62.781 flat angles P-C4'-P energy: -42.876 tors. eta vs tors. theta energy: -22.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -569.011669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.011669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.011669 (E_RNA) where: Base-Base interactions energy: -303.059 where: short stacking energy: -166.181 Base-Backbone interact. energy: 1.724 local terms energy: -267.676447 where: bonds (distance) C4'-P energy: -83.866 bonds (distance) P-C4' energy: -80.777 flat angles C4'-P-C4' energy: -71.616 flat angles P-C4'-P energy: -18.178 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: 1, replica: 8 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1620.796314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.796314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.796314 (E_RNA) where: Base-Base interactions energy: -1109.773 where: short stacking energy: -494.479 Base-Backbone interact. energy: -0.252 local terms energy: -510.771034 where: bonds (distance) C4'-P energy: -91.741 bonds (distance) P-C4' energy: -97.170 flat angles C4'-P-C4' energy: -115.956 flat angles P-C4'-P energy: -72.474 tors. eta vs tors. theta energy: -133.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1617.633931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.633931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.633931 (E_RNA) where: Base-Base interactions energy: -1098.113 where: short stacking energy: -486.223 Base-Backbone interact. energy: -1.668 local terms energy: -517.852520 where: bonds (distance) C4'-P energy: -93.183 bonds (distance) P-C4' energy: -108.137 flat angles C4'-P-C4' energy: -98.460 flat angles P-C4'-P energy: -78.113 tors. eta vs tors. theta energy: -139.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1505.545447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.545447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.545447 (E_RNA) where: Base-Base interactions energy: -1043.287 where: short stacking energy: -430.292 Base-Backbone interact. energy: 1.363 local terms energy: -463.621403 where: bonds (distance) C4'-P energy: -93.294 bonds (distance) P-C4' energy: -89.507 flat angles C4'-P-C4' energy: -98.952 flat angles P-C4'-P energy: -59.575 tors. eta vs tors. theta energy: -122.295 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: 10 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1508.391123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.391123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.391123 (E_RNA) where: Base-Base interactions energy: -1078.120 where: short stacking energy: -451.777 Base-Backbone interact. energy: -2.281 local terms energy: -427.989687 where: bonds (distance) C4'-P energy: -86.771 bonds (distance) P-C4' energy: -68.236 flat angles C4'-P-C4' energy: -95.429 flat angles P-C4'-P energy: -61.894 tors. eta vs tors. theta energy: -115.660 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: 3 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1318.416383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.416383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.416383 (E_RNA) where: Base-Base interactions energy: -894.886 where: short stacking energy: -380.051 Base-Backbone interact. energy: -4.523 local terms energy: -419.006593 where: bonds (distance) C4'-P energy: -85.661 bonds (distance) P-C4' energy: -83.578 flat angles C4'-P-C4' energy: -94.041 flat angles P-C4'-P energy: -64.474 tors. eta vs tors. theta energy: -91.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1153.290339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.290339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.290339 (E_RNA) where: Base-Base interactions energy: -783.815 where: short stacking energy: -340.342 Base-Backbone interact. energy: 6.451 local terms energy: -375.926507 where: bonds (distance) C4'-P energy: -78.937 bonds (distance) P-C4' energy: -73.756 flat angles C4'-P-C4' energy: -85.921 flat angles P-C4'-P energy: -55.762 tors. eta vs tors. theta energy: -81.551 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: 6 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1088.397080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.397080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.397080 (E_RNA) where: Base-Base interactions energy: -701.184 where: short stacking energy: -309.441 Base-Backbone interact. energy: -2.730 local terms energy: -384.482376 where: bonds (distance) C4'-P energy: -78.390 bonds (distance) P-C4' energy: -82.502 flat angles C4'-P-C4' energy: -102.048 flat angles P-C4'-P energy: -46.434 tors. eta vs tors. theta energy: -75.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -810.323478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.323478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.323478 (E_RNA) where: Base-Base interactions energy: -477.146 where: short stacking energy: -238.577 Base-Backbone interact. energy: -3.609 local terms energy: -329.568632 where: bonds (distance) C4'-P energy: -89.749 bonds (distance) P-C4' energy: -93.192 flat angles C4'-P-C4' energy: -87.809 flat angles P-C4'-P energy: -41.153 tors. eta vs tors. theta energy: -17.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -661.743443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.743443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.743443 (E_RNA) where: Base-Base interactions energy: -356.683 where: short stacking energy: -186.490 Base-Backbone interact. energy: -2.062 local terms energy: -302.998090 where: bonds (distance) C4'-P energy: -63.358 bonds (distance) P-C4' energy: -93.866 flat angles C4'-P-C4' energy: -63.230 flat angles P-C4'-P energy: -51.817 tors. eta vs tors. theta energy: -30.726 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: 1 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -568.556634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.556634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.556634 (E_RNA) where: Base-Base interactions energy: -309.119 where: short stacking energy: -163.655 Base-Backbone interact. energy: 7.183 local terms energy: -266.620012 where: bonds (distance) C4'-P energy: -78.923 bonds (distance) P-C4' energy: -80.014 flat angles C4'-P-C4' energy: -64.570 flat angles P-C4'-P energy: -38.651 tors. eta vs tors. theta energy: -4.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1652.145793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.145793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.145793 (E_RNA) where: Base-Base interactions energy: -1148.664 where: short stacking energy: -497.077 Base-Backbone interact. energy: -0.396 local terms energy: -503.086208 where: bonds (distance) C4'-P energy: -97.007 bonds (distance) P-C4' energy: -87.490 flat angles C4'-P-C4' energy: -108.647 flat angles P-C4'-P energy: -73.186 tors. eta vs tors. theta energy: -136.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1581.788273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.788273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.788273 (E_RNA) where: Base-Base interactions energy: -1071.372 where: short stacking energy: -494.319 Base-Backbone interact. energy: -0.031 local terms energy: -510.385941 where: bonds (distance) C4'-P energy: -97.171 bonds (distance) P-C4' energy: -92.918 flat angles C4'-P-C4' energy: -102.844 flat angles P-C4'-P energy: -74.851 tors. eta vs tors. theta energy: -142.602 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: 7 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1476.850365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.850365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.850365 (E_RNA) where: Base-Base interactions energy: -1037.951 where: short stacking energy: -429.411 Base-Backbone interact. energy: -4.274 local terms energy: -434.624398 where: bonds (distance) C4'-P energy: -74.703 bonds (distance) P-C4' energy: -96.684 flat angles C4'-P-C4' energy: -83.866 flat angles P-C4'-P energy: -68.974 tors. eta vs tors. theta energy: -110.398 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: 10 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1525.694570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.694570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.694570 (E_RNA) where: Base-Base interactions energy: -1028.041 where: short stacking energy: -447.715 Base-Backbone interact. energy: -2.658 local terms energy: -494.994966 where: bonds (distance) C4'-P energy: -100.026 bonds (distance) P-C4' energy: -98.408 flat angles C4'-P-C4' energy: -100.116 flat angles P-C4'-P energy: -70.995 tors. eta vs tors. theta energy: -125.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1328.013234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.013234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.013234 (E_RNA) where: Base-Base interactions energy: -901.796 where: short stacking energy: -386.464 Base-Backbone interact. energy: 1.095 local terms energy: -427.312916 where: bonds (distance) C4'-P energy: -73.604 bonds (distance) P-C4' energy: -94.221 flat angles C4'-P-C4' energy: -100.957 flat angles P-C4'-P energy: -55.803 tors. eta vs tors. theta energy: -102.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1099.809414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.809414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.809414 (E_RNA) where: Base-Base interactions energy: -706.582 where: short stacking energy: -328.099 Base-Backbone interact. energy: -0.661 local terms energy: -392.566626 where: bonds (distance) C4'-P energy: -74.063 bonds (distance) P-C4' energy: -68.423 flat angles C4'-P-C4' energy: -90.496 flat angles P-C4'-P energy: -65.471 tors. eta vs tors. theta energy: -94.115 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: 6 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1056.936039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.936039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.936039 (E_RNA) where: Base-Base interactions energy: -668.348 where: short stacking energy: -310.761 Base-Backbone interact. energy: 2.491 local terms energy: -391.079481 where: bonds (distance) C4'-P energy: -90.711 bonds (distance) P-C4' energy: -88.951 flat angles C4'-P-C4' energy: -88.112 flat angles P-C4'-P energy: -45.610 tors. eta vs tors. theta energy: -77.695 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: 8, replica: 5 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -796.754284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.754284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.754284 (E_RNA) where: Base-Base interactions energy: -518.043 where: short stacking energy: -223.360 Base-Backbone interact. energy: -1.204 local terms energy: -277.507590 where: bonds (distance) C4'-P energy: -60.849 bonds (distance) P-C4' energy: -77.339 flat angles C4'-P-C4' energy: -78.895 flat angles P-C4'-P energy: -39.566 tors. eta vs tors. theta energy: -20.858 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: 9 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -681.727899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.727899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.727899 (E_RNA) where: Base-Base interactions energy: -359.511 where: short stacking energy: -198.733 Base-Backbone interact. energy: -2.795 local terms energy: -319.421626 where: bonds (distance) C4'-P energy: -87.565 bonds (distance) P-C4' energy: -78.499 flat angles C4'-P-C4' energy: -86.942 flat angles P-C4'-P energy: -45.523 tors. eta vs tors. theta energy: -20.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -568.309914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.309914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.309914 (E_RNA) where: Base-Base interactions energy: -294.460 where: short stacking energy: -166.835 Base-Backbone interact. energy: 0.751 local terms energy: -274.601444 where: bonds (distance) C4'-P energy: -53.748 bonds (distance) P-C4' energy: -93.896 flat angles C4'-P-C4' energy: -82.357 flat angles P-C4'-P energy: -46.404 tors. eta vs tors. theta energy: 1.804 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: 2 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1627.629112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.629112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.629112 (E_RNA) where: Base-Base interactions energy: -1111.501 where: short stacking energy: -500.633 Base-Backbone interact. energy: 0.611 local terms energy: -516.739927 where: bonds (distance) C4'-P energy: -95.103 bonds (distance) P-C4' energy: -100.489 flat angles C4'-P-C4' energy: -111.479 flat angles P-C4'-P energy: -72.744 tors. eta vs tors. theta energy: -136.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1597.219536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.219536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.219536 (E_RNA) where: Base-Base interactions energy: -1100.442 where: short stacking energy: -476.797 Base-Backbone interact. energy: 1.155 local terms energy: -497.932666 where: bonds (distance) C4'-P energy: -96.667 bonds (distance) P-C4' energy: -94.490 flat angles C4'-P-C4' energy: -107.771 flat angles P-C4'-P energy: -68.022 tors. eta vs tors. theta energy: -130.983 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: 10 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1551.002645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.002645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.002645 (E_RNA) where: Base-Base interactions energy: -1060.194 where: short stacking energy: -463.763 Base-Backbone interact. energy: -2.472 local terms energy: -488.337225 where: bonds (distance) C4'-P energy: -90.863 bonds (distance) P-C4' energy: -101.744 flat angles C4'-P-C4' energy: -104.349 flat angles P-C4'-P energy: -56.641 tors. eta vs tors. theta energy: -134.741 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: 7 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1468.504585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.504585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.504585 (E_RNA) where: Base-Base interactions energy: -1015.319 where: short stacking energy: -422.983 Base-Backbone interact. energy: 6.075 local terms energy: -459.259914 where: bonds (distance) C4'-P energy: -93.237 bonds (distance) P-C4' energy: -88.216 flat angles C4'-P-C4' energy: -98.948 flat angles P-C4'-P energy: -59.380 tors. eta vs tors. theta energy: -119.479 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: 5, replica: 3 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1388.112986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.112986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.112986 (E_RNA) where: Base-Base interactions energy: -927.300 where: short stacking energy: -397.637 Base-Backbone interact. energy: 0.406 local terms energy: -461.218510 where: bonds (distance) C4'-P energy: -85.337 bonds (distance) P-C4' energy: -96.727 flat angles C4'-P-C4' energy: -105.115 flat angles P-C4'-P energy: -60.268 tors. eta vs tors. theta energy: -113.772 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: 4 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1122.293251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.293251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.293251 (E_RNA) where: Base-Base interactions energy: -727.773 where: short stacking energy: -338.083 Base-Backbone interact. energy: 1.108 local terms energy: -395.627983 where: bonds (distance) C4'-P energy: -71.052 bonds (distance) P-C4' energy: -81.246 flat angles C4'-P-C4' energy: -95.289 flat angles P-C4'-P energy: -65.311 tors. eta vs tors. theta energy: -82.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1065.418022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.418022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.418022 (E_RNA) where: Base-Base interactions energy: -718.203 where: short stacking energy: -312.899 Base-Backbone interact. energy: 1.104 local terms energy: -348.318733 where: bonds (distance) C4'-P energy: -78.906 bonds (distance) P-C4' energy: -71.242 flat angles C4'-P-C4' energy: -89.497 flat angles P-C4'-P energy: -47.004 tors. eta vs tors. theta energy: -61.670 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: 72 Temperature: 1.250000 Total energy: -697.434974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.434974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.434974 (E_RNA) where: Base-Base interactions energy: -369.197 where: short stacking energy: -170.565 Base-Backbone interact. energy: 0.114 local terms energy: -328.352415 where: bonds (distance) C4'-P energy: -91.095 bonds (distance) P-C4' energy: -97.031 flat angles C4'-P-C4' energy: -78.665 flat angles P-C4'-P energy: -46.969 tors. eta vs tors. theta energy: -14.592 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: 9 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -643.245113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.245113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.245113 (E_RNA) where: Base-Base interactions energy: -344.170 where: short stacking energy: -180.410 Base-Backbone interact. energy: -1.911 local terms energy: -297.164539 where: bonds (distance) C4'-P energy: -93.096 bonds (distance) P-C4' energy: -98.702 flat angles C4'-P-C4' energy: -62.254 flat angles P-C4'-P energy: -40.473 tors. eta vs tors. theta energy: -2.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -575.690640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.690640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.690640 (E_RNA) where: Base-Base interactions energy: -292.986 where: short stacking energy: -153.131 Base-Backbone interact. energy: 2.235 local terms energy: -284.939007 where: bonds (distance) C4'-P energy: -70.272 bonds (distance) P-C4' energy: -87.085 flat angles C4'-P-C4' energy: -72.674 flat angles P-C4'-P energy: -47.743 tors. eta vs tors. theta energy: -7.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1637.805884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.805884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.805884 (E_RNA) where: Base-Base interactions energy: -1114.317 where: short stacking energy: -496.763 Base-Backbone interact. energy: -1.421 local terms energy: -522.068075 where: bonds (distance) C4'-P energy: -103.789 bonds (distance) P-C4' energy: -96.681 flat angles C4'-P-C4' energy: -109.568 flat angles P-C4'-P energy: -78.767 tors. eta vs tors. theta energy: -133.264 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: 8 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1608.714008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.714008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.714008 (E_RNA) where: Base-Base interactions energy: -1095.277 where: short stacking energy: -496.608 Base-Backbone interact. energy: -1.979 local terms energy: -511.457486 where: bonds (distance) C4'-P energy: -87.631 bonds (distance) P-C4' energy: -107.364 flat angles C4'-P-C4' energy: -115.843 flat angles P-C4'-P energy: -63.871 tors. eta vs tors. theta energy: -136.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1579.415347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.415347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.415347 (E_RNA) where: Base-Base interactions energy: -1064.214 where: short stacking energy: -459.497 Base-Backbone interact. energy: -2.862 local terms energy: -512.339525 where: bonds (distance) C4'-P energy: -91.781 bonds (distance) P-C4' energy: -105.130 flat angles C4'-P-C4' energy: -113.599 flat angles P-C4'-P energy: -69.978 tors. eta vs tors. theta energy: -131.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1480.893237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.893237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.893237 (E_RNA) where: Base-Base interactions energy: -1008.080 where: short stacking energy: -429.310 Base-Backbone interact. energy: -1.727 local terms energy: -471.086004 where: bonds (distance) C4'-P energy: -90.882 bonds (distance) P-C4' energy: -90.596 flat angles C4'-P-C4' energy: -97.803 flat angles P-C4'-P energy: -71.701 tors. eta vs tors. theta energy: -120.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1320.581958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.581958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.581958 (E_RNA) where: Base-Base interactions energy: -912.344 where: short stacking energy: -389.686 Base-Backbone interact. energy: -1.821 local terms energy: -406.417101 where: bonds (distance) C4'-P energy: -75.150 bonds (distance) P-C4' energy: -87.050 flat angles C4'-P-C4' energy: -89.898 flat angles P-C4'-P energy: -51.494 tors. eta vs tors. theta energy: -102.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1105.457669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.457669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.457669 (E_RNA) where: Base-Base interactions energy: -695.979 where: short stacking energy: -316.956 Base-Backbone interact. energy: -0.662 local terms energy: -408.816896 where: bonds (distance) C4'-P energy: -88.354 bonds (distance) P-C4' energy: -92.636 flat angles C4'-P-C4' energy: -91.432 flat angles P-C4'-P energy: -52.896 tors. eta vs tors. theta energy: -83.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1024.824516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.824516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.824516 (E_RNA) where: Base-Base interactions energy: -666.729 where: short stacking energy: -296.518 Base-Backbone interact. energy: -2.163 local terms energy: -355.932405 where: bonds (distance) C4'-P energy: -81.441 bonds (distance) P-C4' energy: -86.781 flat angles C4'-P-C4' energy: -84.992 flat angles P-C4'-P energy: -37.456 tors. eta vs tors. theta energy: -65.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -649.197219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.197219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.197219 (E_RNA) where: Base-Base interactions energy: -356.626 where: short stacking energy: -211.443 Base-Backbone interact. energy: -1.753 local terms energy: -290.818065 where: bonds (distance) C4'-P energy: -63.066 bonds (distance) P-C4' energy: -84.313 flat angles C4'-P-C4' energy: -77.233 flat angles P-C4'-P energy: -43.092 tors. eta vs tors. theta energy: -23.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -652.724239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.724239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.724239 (E_RNA) where: Base-Base interactions energy: -359.235 where: short stacking energy: -187.135 Base-Backbone interact. energy: 0.359 local terms energy: -293.848679 where: bonds (distance) C4'-P energy: -89.018 bonds (distance) P-C4' energy: -78.240 flat angles C4'-P-C4' energy: -76.839 flat angles P-C4'-P energy: -45.623 tors. eta vs tors. theta energy: -4.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -566.277540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.277540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.277540 (E_RNA) where: Base-Base interactions energy: -290.850 where: short stacking energy: -165.851 Base-Backbone interact. energy: -2.041 local terms energy: -273.386609 where: bonds (distance) C4'-P energy: -83.639 bonds (distance) P-C4' energy: -73.363 flat angles C4'-P-C4' energy: -68.351 flat angles P-C4'-P energy: -51.022 tors. eta vs tors. theta energy: 2.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1640.290887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.290887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.290887 (E_RNA) where: Base-Base interactions energy: -1140.412 where: short stacking energy: -519.939 Base-Backbone interact. energy: -1.292 local terms energy: -498.586692 where: bonds (distance) C4'-P energy: -73.832 bonds (distance) P-C4' energy: -101.978 flat angles C4'-P-C4' energy: -111.379 flat angles P-C4'-P energy: -68.800 tors. eta vs tors. theta energy: -142.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1562.309085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.309085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.309085 (E_RNA) where: Base-Base interactions energy: -1062.357 where: short stacking energy: -476.049 Base-Backbone interact. energy: -2.021 local terms energy: -497.931120 where: bonds (distance) C4'-P energy: -91.193 bonds (distance) P-C4' energy: -101.049 flat angles C4'-P-C4' energy: -116.056 flat angles P-C4'-P energy: -60.193 tors. eta vs tors. theta energy: -129.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1560.869701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.869701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.869701 (E_RNA) where: Base-Base interactions energy: -1083.314 where: short stacking energy: -451.061 Base-Backbone interact. energy: -2.106 local terms energy: -475.449954 where: bonds (distance) C4'-P energy: -88.718 bonds (distance) P-C4' energy: -87.920 flat angles C4'-P-C4' energy: -91.829 flat angles P-C4'-P energy: -77.584 tors. eta vs tors. theta energy: -129.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1480.701666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.701666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.701666 (E_RNA) where: Base-Base interactions energy: -1018.731 where: short stacking energy: -421.585 Base-Backbone interact. energy: -1.953 local terms energy: -460.018414 where: bonds (distance) C4'-P energy: -84.565 bonds (distance) P-C4' energy: -99.778 flat angles C4'-P-C4' energy: -93.504 flat angles P-C4'-P energy: -67.733 tors. eta vs tors. theta energy: -114.438 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: 3 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1342.980680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.980680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.980680 (E_RNA) where: Base-Base interactions energy: -939.321 where: short stacking energy: -391.151 Base-Backbone interact. energy: 2.786 local terms energy: -406.445801 where: bonds (distance) C4'-P energy: -69.439 bonds (distance) P-C4' energy: -92.284 flat angles C4'-P-C4' energy: -93.628 flat angles P-C4'-P energy: -44.060 tors. eta vs tors. theta energy: -107.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1098.494193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.494193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.494193 (E_RNA) where: Base-Base interactions energy: -702.552 where: short stacking energy: -311.172 Base-Backbone interact. energy: 2.858 local terms energy: -398.800242 where: bonds (distance) C4'-P energy: -80.027 bonds (distance) P-C4' energy: -88.514 flat angles C4'-P-C4' energy: -96.471 flat angles P-C4'-P energy: -64.784 tors. eta vs tors. theta energy: -69.004 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: 74 Temperature: 1.200000 Total energy: -1095.086302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.086302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.086302 (E_RNA) where: Base-Base interactions energy: -700.031 where: short stacking energy: -312.996 Base-Backbone interact. energy: -2.500 local terms energy: -392.555021 where: bonds (distance) C4'-P energy: -90.186 bonds (distance) P-C4' energy: -87.307 flat angles C4'-P-C4' energy: -78.479 flat angles P-C4'-P energy: -53.383 tors. eta vs tors. theta energy: -83.200 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: 8, replica: 9 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -612.700552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.700552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.700552 (E_RNA) where: Base-Base interactions energy: -308.690 where: short stacking energy: -175.713 Base-Backbone interact. energy: 1.152 local terms energy: -305.162314 where: bonds (distance) C4'-P energy: -75.474 bonds (distance) P-C4' energy: -78.912 flat angles C4'-P-C4' energy: -73.093 flat angles P-C4'-P energy: -55.939 tors. eta vs tors. theta energy: -21.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -639.607740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.607740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.607740 (E_RNA) where: Base-Base interactions energy: -363.799 where: short stacking energy: -193.559 Base-Backbone interact. energy: -2.640 local terms energy: -273.168918 where: bonds (distance) C4'-P energy: -54.510 bonds (distance) P-C4' energy: -81.571 flat angles C4'-P-C4' energy: -89.191 flat angles P-C4'-P energy: -40.925 tors. eta vs tors. theta energy: -6.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -612.695075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.695075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.695075 (E_RNA) where: Base-Base interactions energy: -327.065 where: short stacking energy: -197.330 Base-Backbone interact. energy: 0.283 local terms energy: -285.913413 where: bonds (distance) C4'-P energy: -68.489 bonds (distance) P-C4' energy: -83.199 flat angles C4'-P-C4' energy: -63.674 flat angles P-C4'-P energy: -54.915 tors. eta vs tors. theta energy: -15.635 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: 2 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1630.876415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.876415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.876415 (E_RNA) where: Base-Base interactions energy: -1116.438 where: short stacking energy: -492.784 Base-Backbone interact. energy: -1.668 local terms energy: -512.770140 where: bonds (distance) C4'-P energy: -96.522 bonds (distance) P-C4' energy: -104.149 flat angles C4'-P-C4' energy: -111.602 flat angles P-C4'-P energy: -67.311 tors. eta vs tors. theta energy: -133.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1608.662549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.662549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.662549 (E_RNA) where: Base-Base interactions energy: -1104.896 where: short stacking energy: -480.176 Base-Backbone interact. energy: -3.127 local terms energy: -500.639461 where: bonds (distance) C4'-P energy: -90.351 bonds (distance) P-C4' energy: -87.841 flat angles C4'-P-C4' energy: -99.886 flat angles P-C4'-P energy: -81.438 tors. eta vs tors. theta energy: -141.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1555.407149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.407149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.407149 (E_RNA) where: Base-Base interactions energy: -1051.981 where: short stacking energy: -447.031 Base-Backbone interact. energy: 0.815 local terms energy: -504.241217 where: bonds (distance) C4'-P energy: -93.975 bonds (distance) P-C4' energy: -99.709 flat angles C4'-P-C4' energy: -104.345 flat angles P-C4'-P energy: -81.094 tors. eta vs tors. theta energy: -125.118 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: 7 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1447.794482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.794482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.794482 (E_RNA) where: Base-Base interactions energy: -993.553 where: short stacking energy: -389.762 Base-Backbone interact. energy: -3.760 local terms energy: -450.481668 where: bonds (distance) C4'-P energy: -93.085 bonds (distance) P-C4' energy: -82.962 flat angles C4'-P-C4' energy: -92.970 flat angles P-C4'-P energy: -67.196 tors. eta vs tors. theta energy: -114.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1301.397220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.397220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.397220 (E_RNA) where: Base-Base interactions energy: -889.802 where: short stacking energy: -386.599 Base-Backbone interact. energy: -2.641 local terms energy: -408.953835 where: bonds (distance) C4'-P energy: -76.321 bonds (distance) P-C4' energy: -89.181 flat angles C4'-P-C4' energy: -84.959 flat angles P-C4'-P energy: -58.944 tors. eta vs tors. theta energy: -99.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1131.043637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.043637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.043637 (E_RNA) where: Base-Base interactions energy: -740.444 where: short stacking energy: -325.956 Base-Backbone interact. energy: 1.460 local terms energy: -392.059354 where: bonds (distance) C4'-P energy: -85.923 bonds (distance) P-C4' energy: -79.199 flat angles C4'-P-C4' energy: -90.486 flat angles P-C4'-P energy: -58.433 tors. eta vs tors. theta energy: -78.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1104.566493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.566493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.566493 (E_RNA) where: Base-Base interactions energy: -724.483 where: short stacking energy: -327.475 Base-Backbone interact. energy: 1.286 local terms energy: -381.369792 where: bonds (distance) C4'-P energy: -88.142 bonds (distance) P-C4' energy: -81.682 flat angles C4'-P-C4' energy: -91.108 flat angles P-C4'-P energy: -42.629 tors. eta vs tors. theta energy: -77.808 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: 8, replica: 5 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -697.478070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.478070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.478070 (E_RNA) where: Base-Base interactions energy: -399.035 where: short stacking energy: -209.892 Base-Backbone interact. energy: -0.620 local terms energy: -297.823402 where: bonds (distance) C4'-P energy: -76.509 bonds (distance) P-C4' energy: -83.451 flat angles C4'-P-C4' energy: -79.740 flat angles P-C4'-P energy: -45.411 tors. eta vs tors. theta energy: -12.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -579.712603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.712603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.712603 (E_RNA) where: Base-Base interactions energy: -316.963 where: short stacking energy: -195.119 Base-Backbone interact. energy: -2.391 local terms energy: -260.358309 where: bonds (distance) C4'-P energy: -69.860 bonds (distance) P-C4' energy: -80.132 flat angles C4'-P-C4' energy: -59.145 flat angles P-C4'-P energy: -49.397 tors. eta vs tors. theta energy: -1.824 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: 10, replica: 1 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -580.397648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.397648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.397648 (E_RNA) where: Base-Base interactions energy: -303.224 where: short stacking energy: -167.932 Base-Backbone interact. energy: 1.894 local terms energy: -279.066728 where: bonds (distance) C4'-P energy: -86.987 bonds (distance) P-C4' energy: -97.500 flat angles C4'-P-C4' energy: -62.711 flat angles P-C4'-P energy: -35.045 tors. eta vs tors. theta energy: 3.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1630.499552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.499552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.499552 (E_RNA) where: Base-Base interactions energy: -1121.302 where: short stacking energy: -506.584 Base-Backbone interact. energy: -3.520 local terms energy: -505.677522 where: bonds (distance) C4'-P energy: -96.776 bonds (distance) P-C4' energy: -84.930 flat angles C4'-P-C4' energy: -102.512 flat angles P-C4'-P energy: -73.423 tors. eta vs tors. theta energy: -148.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1579.453567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.453567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.453567 (E_RNA) where: Base-Base interactions energy: -1109.889 where: short stacking energy: -472.664 Base-Backbone interact. energy: 2.994 local terms energy: -472.558907 where: bonds (distance) C4'-P energy: -88.039 bonds (distance) P-C4' energy: -91.047 flat angles C4'-P-C4' energy: -107.618 flat angles P-C4'-P energy: -59.238 tors. eta vs tors. theta energy: -126.618 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: 3, replica: 8 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1539.852296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.852296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.852296 (E_RNA) where: Base-Base interactions energy: -1061.393 where: short stacking energy: -476.036 Base-Backbone interact. energy: -1.473 local terms energy: -476.986084 where: bonds (distance) C4'-P energy: -79.898 bonds (distance) P-C4' energy: -89.999 flat angles C4'-P-C4' energy: -98.864 flat angles P-C4'-P energy: -76.690 tors. eta vs tors. theta energy: -131.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1500.143740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.143740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.143740 (E_RNA) where: Base-Base interactions energy: -1045.913 where: short stacking energy: -422.646 Base-Backbone interact. energy: -2.774 local terms energy: -451.456568 where: bonds (distance) C4'-P energy: -74.877 bonds (distance) P-C4' energy: -97.626 flat angles C4'-P-C4' energy: -107.121 flat angles P-C4'-P energy: -66.674 tors. eta vs tors. theta energy: -105.159 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: 3 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1313.521876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.521876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.521876 (E_RNA) where: Base-Base interactions energy: -913.689 where: short stacking energy: -379.758 Base-Backbone interact. energy: -0.717 local terms energy: -399.116448 where: bonds (distance) C4'-P energy: -80.459 bonds (distance) P-C4' energy: -78.525 flat angles C4'-P-C4' energy: -80.061 flat angles P-C4'-P energy: -54.765 tors. eta vs tors. theta energy: -105.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1068.413249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.413249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.413249 (E_RNA) where: Base-Base interactions energy: -659.155 where: short stacking energy: -317.857 Base-Backbone interact. energy: -1.394 local terms energy: -407.863689 where: bonds (distance) C4'-P energy: -79.033 bonds (distance) P-C4' energy: -85.483 flat angles C4'-P-C4' energy: -93.167 flat angles P-C4'-P energy: -63.763 tors. eta vs tors. theta energy: -86.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1105.309878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.309878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.309878 (E_RNA) where: Base-Base interactions energy: -722.423 where: short stacking energy: -341.529 Base-Backbone interact. energy: 0.096 local terms energy: -382.982379 where: bonds (distance) C4'-P energy: -78.484 bonds (distance) P-C4' energy: -83.642 flat angles C4'-P-C4' energy: -94.300 flat angles P-C4'-P energy: -54.885 tors. eta vs tors. theta energy: -71.672 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: 5 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -740.092702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.092702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.092702 (E_RNA) where: Base-Base interactions energy: -430.535 where: short stacking energy: -213.245 Base-Backbone interact. energy: 2.982 local terms energy: -312.539679 where: bonds (distance) C4'-P energy: -74.698 bonds (distance) P-C4' energy: -96.850 flat angles C4'-P-C4' energy: -74.259 flat angles P-C4'-P energy: -49.084 tors. eta vs tors. theta energy: -17.648 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: 9 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -590.333886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.333886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.333886 (E_RNA) where: Base-Base interactions energy: -294.985 where: short stacking energy: -155.033 Base-Backbone interact. energy: -1.104 local terms energy: -294.245065 where: bonds (distance) C4'-P energy: -84.024 bonds (distance) P-C4' energy: -90.033 flat angles C4'-P-C4' energy: -65.401 flat angles P-C4'-P energy: -39.353 tors. eta vs tors. theta energy: -15.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -570.368678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.368678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.368678 (E_RNA) where: Base-Base interactions energy: -318.135 where: short stacking energy: -171.634 Base-Backbone interact. energy: 4.288 local terms energy: -256.521558 where: bonds (distance) C4'-P energy: -78.743 bonds (distance) P-C4' energy: -81.147 flat angles C4'-P-C4' energy: -61.591 flat angles P-C4'-P energy: -38.628 tors. eta vs tors. theta energy: 3.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1633.811030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.811030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.811030 (E_RNA) where: Base-Base interactions energy: -1119.992 where: short stacking energy: -502.572 Base-Backbone interact. energy: -1.529 local terms energy: -512.290576 where: bonds (distance) C4'-P energy: -100.180 bonds (distance) P-C4' energy: -89.322 flat angles C4'-P-C4' energy: -114.305 flat angles P-C4'-P energy: -61.955 tors. eta vs tors. theta energy: -146.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1587.864110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.864110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.864110 (E_RNA) where: Base-Base interactions energy: -1128.729 where: short stacking energy: -454.162 Base-Backbone interact. energy: -2.797 local terms energy: -456.338302 where: bonds (distance) C4'-P energy: -76.187 bonds (distance) P-C4' energy: -86.310 flat angles C4'-P-C4' energy: -108.389 flat angles P-C4'-P energy: -71.221 tors. eta vs tors. theta energy: -114.231 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: 3, replica: 8 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1536.538723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.538723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.538723 (E_RNA) where: Base-Base interactions energy: -1050.086 where: short stacking energy: -467.038 Base-Backbone interact. energy: 0.301 local terms energy: -486.753831 where: bonds (distance) C4'-P energy: -89.925 bonds (distance) P-C4' energy: -88.943 flat angles C4'-P-C4' energy: -97.871 flat angles P-C4'-P energy: -74.064 tors. eta vs tors. theta energy: -135.952 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: 4, replica: 7 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1492.283603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.283603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.283603 (E_RNA) where: Base-Base interactions energy: -1054.101 where: short stacking energy: -429.102 Base-Backbone interact. energy: 0.176 local terms energy: -438.358449 where: bonds (distance) C4'-P energy: -81.213 bonds (distance) P-C4' energy: -84.257 flat angles C4'-P-C4' energy: -99.499 flat angles P-C4'-P energy: -56.538 tors. eta vs tors. theta energy: -116.851 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: 3 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1330.954814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.954814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.954814 (E_RNA) where: Base-Base interactions energy: -873.363 where: short stacking energy: -387.219 Base-Backbone interact. energy: -5.286 local terms energy: -452.306138 where: bonds (distance) C4'-P energy: -94.245 bonds (distance) P-C4' energy: -89.627 flat angles C4'-P-C4' energy: -105.456 flat angles P-C4'-P energy: -69.045 tors. eta vs tors. theta energy: -93.933 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: 6 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1232.888852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.888852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.888852 (E_RNA) where: Base-Base interactions energy: -823.082 where: short stacking energy: -356.590 Base-Backbone interact. energy: -0.711 local terms energy: -409.095269 where: bonds (distance) C4'-P energy: -85.214 bonds (distance) P-C4' energy: -89.373 flat angles C4'-P-C4' energy: -89.854 flat angles P-C4'-P energy: -49.204 tors. eta vs tors. theta energy: -95.450 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: 7, replica: 4 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1057.011619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.011619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.011619 (E_RNA) where: Base-Base interactions energy: -666.803 where: short stacking energy: -303.362 Base-Backbone interact. energy: -1.627 local terms energy: -388.581257 where: bonds (distance) C4'-P energy: -78.171 bonds (distance) P-C4' energy: -85.750 flat angles C4'-P-C4' energy: -92.616 flat angles P-C4'-P energy: -58.220 tors. eta vs tors. theta energy: -73.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -778.505026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.505026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.505026 (E_RNA) where: Base-Base interactions energy: -450.527 where: short stacking energy: -197.442 Base-Backbone interact. energy: -1.682 local terms energy: -326.296123 where: bonds (distance) C4'-P energy: -82.214 bonds (distance) P-C4' energy: -83.108 flat angles C4'-P-C4' energy: -92.108 flat angles P-C4'-P energy: -52.680 tors. eta vs tors. theta energy: -16.186 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: 9 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -655.011661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.011661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.011661 (E_RNA) where: Base-Base interactions energy: -345.737 where: short stacking energy: -199.016 Base-Backbone interact. energy: -2.723 local terms energy: -306.552332 where: bonds (distance) C4'-P energy: -68.968 bonds (distance) P-C4' energy: -77.216 flat angles C4'-P-C4' energy: -78.787 flat angles P-C4'-P energy: -54.759 tors. eta vs tors. theta energy: -26.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -600.455924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.455924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.455924 (E_RNA) where: Base-Base interactions energy: -323.768 where: short stacking energy: -173.367 Base-Backbone interact. energy: -1.482 local terms energy: -275.205525 where: bonds (distance) C4'-P energy: -61.888 bonds (distance) P-C4' energy: -68.793 flat angles C4'-P-C4' energy: -67.391 flat angles P-C4'-P energy: -52.938 tors. eta vs tors. theta energy: -24.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1651.879273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.879273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.879273 (E_RNA) where: Base-Base interactions energy: -1126.883 where: short stacking energy: -499.487 Base-Backbone interact. energy: -3.038 local terms energy: -521.958728 where: bonds (distance) C4'-P energy: -96.197 bonds (distance) P-C4' energy: -98.615 flat angles C4'-P-C4' energy: -112.300 flat angles P-C4'-P energy: -69.832 tors. eta vs tors. theta energy: -145.015 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: 10 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1572.993801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.993801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.993801 (E_RNA) where: Base-Base interactions energy: -1095.235 where: short stacking energy: -438.238 Base-Backbone interact. energy: -1.781 local terms energy: -475.978426 where: bonds (distance) C4'-P energy: -88.602 bonds (distance) P-C4' energy: -87.357 flat angles C4'-P-C4' energy: -108.341 flat angles P-C4'-P energy: -70.993 tors. eta vs tors. theta energy: -120.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1585.754037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.754037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.754037 (E_RNA) where: Base-Base interactions energy: -1068.836 where: short stacking energy: -485.177 Base-Backbone interact. energy: -0.951 local terms energy: -515.967658 where: bonds (distance) C4'-P energy: -102.522 bonds (distance) P-C4' energy: -98.706 flat angles C4'-P-C4' energy: -103.082 flat angles P-C4'-P energy: -71.694 tors. eta vs tors. theta energy: -139.964 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: 78 Temperature: 1.050000 Total energy: -1473.377509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.377509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.377509 (E_RNA) where: Base-Base interactions energy: -1016.429 where: short stacking energy: -408.254 Base-Backbone interact. energy: -1.589 local terms energy: -455.359537 where: bonds (distance) C4'-P energy: -80.037 bonds (distance) P-C4' energy: -88.051 flat angles C4'-P-C4' energy: -105.709 flat angles P-C4'-P energy: -69.741 tors. eta vs tors. theta energy: -111.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1337.615721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.615721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.615721 (E_RNA) where: Base-Base interactions energy: -893.249 where: short stacking energy: -375.831 Base-Backbone interact. energy: -1.661 local terms energy: -442.705461 where: bonds (distance) C4'-P energy: -91.052 bonds (distance) P-C4' energy: -83.234 flat angles C4'-P-C4' energy: -105.362 flat angles P-C4'-P energy: -59.110 tors. eta vs tors. theta energy: -103.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1249.018006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.018006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.018006 (E_RNA) where: Base-Base interactions energy: -847.421 where: short stacking energy: -362.394 Base-Backbone interact. energy: 4.307 local terms energy: -405.903687 where: bonds (distance) C4'-P energy: -90.820 bonds (distance) P-C4' energy: -81.667 flat angles C4'-P-C4' energy: -86.899 flat angles P-C4'-P energy: -56.448 tors. eta vs tors. theta energy: -90.069 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: 4 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1114.197945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.197945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.197945 (E_RNA) where: Base-Base interactions energy: -710.111 where: short stacking energy: -302.463 Base-Backbone interact. energy: -0.140 local terms energy: -403.947439 where: bonds (distance) C4'-P energy: -78.786 bonds (distance) P-C4' energy: -84.462 flat angles C4'-P-C4' energy: -96.664 flat angles P-C4'-P energy: -57.690 tors. eta vs tors. theta energy: -86.345 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: 5 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -829.375005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.375005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.375005 (E_RNA) where: Base-Base interactions energy: -503.654 where: short stacking energy: -203.823 Base-Backbone interact. energy: 0.025 local terms energy: -325.745199 where: bonds (distance) C4'-P energy: -75.408 bonds (distance) P-C4' energy: -94.571 flat angles C4'-P-C4' energy: -80.764 flat angles P-C4'-P energy: -48.023 tors. eta vs tors. theta energy: -26.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -618.897558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.897558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.897558 (E_RNA) where: Base-Base interactions energy: -338.176 where: short stacking energy: -170.985 Base-Backbone interact. energy: -0.622 local terms energy: -280.099875 where: bonds (distance) C4'-P energy: -74.259 bonds (distance) P-C4' energy: -101.049 flat angles C4'-P-C4' energy: -85.134 flat angles P-C4'-P energy: -30.798 tors. eta vs tors. theta energy: 11.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -588.828647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.828647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.828647 (E_RNA) where: Base-Base interactions energy: -299.465 where: short stacking energy: -167.917 Base-Backbone interact. energy: -1.915 local terms energy: -287.448822 where: bonds (distance) C4'-P energy: -70.804 bonds (distance) P-C4' energy: -92.753 flat angles C4'-P-C4' energy: -63.161 flat angles P-C4'-P energy: -49.167 tors. eta vs tors. theta energy: -11.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1646.760033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.760033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.760033 (E_RNA) where: Base-Base interactions energy: -1124.580 where: short stacking energy: -493.727 Base-Backbone interact. energy: -0.894 local terms energy: -521.285969 where: bonds (distance) C4'-P energy: -95.911 bonds (distance) P-C4' energy: -88.992 flat angles C4'-P-C4' energy: -108.439 flat angles P-C4'-P energy: -70.148 tors. eta vs tors. theta energy: -157.795 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: 10 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1610.665339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.665339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.665339 (E_RNA) where: Base-Base interactions energy: -1108.029 where: short stacking energy: -461.430 Base-Backbone interact. energy: -3.479 local terms energy: -499.158204 where: bonds (distance) C4'-P energy: -89.365 bonds (distance) P-C4' energy: -88.838 flat angles C4'-P-C4' energy: -108.872 flat angles P-C4'-P energy: -71.897 tors. eta vs tors. theta energy: -140.187 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: 8 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1559.151678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.151678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.151678 (E_RNA) where: Base-Base interactions energy: -1055.110 where: short stacking energy: -467.144 Base-Backbone interact. energy: -0.895 local terms energy: -503.146310 where: bonds (distance) C4'-P energy: -87.872 bonds (distance) P-C4' energy: -97.371 flat angles C4'-P-C4' energy: -106.289 flat angles P-C4'-P energy: -70.869 tors. eta vs tors. theta energy: -140.745 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: 7 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1480.862629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.862629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.862629 (E_RNA) where: Base-Base interactions energy: -1029.373 where: short stacking energy: -413.658 Base-Backbone interact. energy: -2.735 local terms energy: -448.754800 where: bonds (distance) C4'-P energy: -80.562 bonds (distance) P-C4' energy: -91.453 flat angles C4'-P-C4' energy: -103.653 flat angles P-C4'-P energy: -63.165 tors. eta vs tors. theta energy: -109.922 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: 3 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1277.615897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.615897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.615897 (E_RNA) where: Base-Base interactions energy: -855.081 where: short stacking energy: -348.748 Base-Backbone interact. energy: -3.078 local terms energy: -419.457520 where: bonds (distance) C4'-P energy: -82.895 bonds (distance) P-C4' energy: -87.178 flat angles C4'-P-C4' energy: -97.700 flat angles P-C4'-P energy: -66.087 tors. eta vs tors. theta energy: -85.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1254.285574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.285574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.285574 (E_RNA) where: Base-Base interactions energy: -838.559 where: short stacking energy: -353.926 Base-Backbone interact. energy: -0.485 local terms energy: -415.241651 where: bonds (distance) C4'-P energy: -80.051 bonds (distance) P-C4' energy: -89.460 flat angles C4'-P-C4' energy: -89.139 flat angles P-C4'-P energy: -58.936 tors. eta vs tors. theta energy: -97.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1118.610525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.610525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.610525 (E_RNA) where: Base-Base interactions energy: -737.972 where: short stacking energy: -318.359 Base-Backbone interact. energy: -0.530 local terms energy: -380.109137 where: bonds (distance) C4'-P energy: -72.272 bonds (distance) P-C4' energy: -84.326 flat angles C4'-P-C4' energy: -92.508 flat angles P-C4'-P energy: -54.364 tors. eta vs tors. theta energy: -76.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -741.068733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.068733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.068733 (E_RNA) where: Base-Base interactions energy: -426.861 where: short stacking energy: -227.492 Base-Backbone interact. energy: 5.185 local terms energy: -319.392801 where: bonds (distance) C4'-P energy: -82.357 bonds (distance) P-C4' energy: -70.385 flat angles C4'-P-C4' energy: -101.396 flat angles P-C4'-P energy: -41.508 tors. eta vs tors. theta energy: -23.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -601.597960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.597960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.597960 (E_RNA) where: Base-Base interactions energy: -297.263 where: short stacking energy: -159.310 Base-Backbone interact. energy: 0.181 local terms energy: -304.515275 where: bonds (distance) C4'-P energy: -82.719 bonds (distance) P-C4' energy: -85.973 flat angles C4'-P-C4' energy: -77.015 flat angles P-C4'-P energy: -44.210 tors. eta vs tors. theta energy: -14.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -541.990521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.990521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.990521 (E_RNA) where: Base-Base interactions energy: -259.413 where: short stacking energy: -147.532 Base-Backbone interact. energy: 2.012 local terms energy: -284.589779 where: bonds (distance) C4'-P energy: -76.365 bonds (distance) P-C4' energy: -87.817 flat angles C4'-P-C4' energy: -72.484 flat angles P-C4'-P energy: -42.907 tors. eta vs tors. theta energy: -5.016 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: 1, replica: 10 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1655.613955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.613955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.613955 (E_RNA) where: Base-Base interactions energy: -1147.939 where: short stacking energy: -492.269 Base-Backbone interact. energy: -1.102 local terms energy: -506.573481 where: bonds (distance) C4'-P energy: -99.620 bonds (distance) P-C4' energy: -101.469 flat angles C4'-P-C4' energy: -101.005 flat angles P-C4'-P energy: -62.994 tors. eta vs tors. theta energy: -141.484 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: 2 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1593.191795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.191795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.191795 (E_RNA) where: Base-Base interactions energy: -1079.891 where: short stacking energy: -474.769 Base-Backbone interact. energy: -1.403 local terms energy: -511.897725 where: bonds (distance) C4'-P energy: -97.505 bonds (distance) P-C4' energy: -91.475 flat angles C4'-P-C4' energy: -108.537 flat angles P-C4'-P energy: -72.786 tors. eta vs tors. theta energy: -141.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1581.634658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.634658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.634658 (E_RNA) where: Base-Base interactions energy: -1072.347 where: short stacking energy: -492.672 Base-Backbone interact. energy: -3.940 local terms energy: -505.347709 where: bonds (distance) C4'-P energy: -90.446 bonds (distance) P-C4' energy: -87.526 flat angles C4'-P-C4' energy: -117.762 flat angles P-C4'-P energy: -71.571 tors. eta vs tors. theta energy: -138.043 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: 7 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1440.305017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.305017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.305017 (E_RNA) where: Base-Base interactions energy: -1027.723 where: short stacking energy: -389.700 Base-Backbone interact. energy: 3.514 local terms energy: -416.096320 where: bonds (distance) C4'-P energy: -70.314 bonds (distance) P-C4' energy: -89.338 flat angles C4'-P-C4' energy: -95.825 flat angles P-C4'-P energy: -55.434 tors. eta vs tors. theta energy: -105.185 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: 3 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1333.637191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.637191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.637191 (E_RNA) where: Base-Base interactions energy: -930.638 where: short stacking energy: -406.756 Base-Backbone interact. energy: -0.269 local terms energy: -402.729749 where: bonds (distance) C4'-P energy: -80.795 bonds (distance) P-C4' energy: -75.331 flat angles C4'-P-C4' energy: -82.921 flat angles P-C4'-P energy: -60.070 tors. eta vs tors. theta energy: -103.613 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: 6 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1288.724312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.724312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.724312 (E_RNA) where: Base-Base interactions energy: -877.877 where: short stacking energy: -365.572 Base-Backbone interact. energy: -0.398 local terms energy: -410.449261 where: bonds (distance) C4'-P energy: -79.856 bonds (distance) P-C4' energy: -84.191 flat angles C4'-P-C4' energy: -85.358 flat angles P-C4'-P energy: -64.397 tors. eta vs tors. theta energy: -96.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1073.879416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.879416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.879416 (E_RNA) where: Base-Base interactions energy: -708.549 where: short stacking energy: -286.283 Base-Backbone interact. energy: 2.795 local terms energy: -368.125750 where: bonds (distance) C4'-P energy: -74.439 bonds (distance) P-C4' energy: -85.994 flat angles C4'-P-C4' energy: -82.794 flat angles P-C4'-P energy: -59.337 tors. eta vs tors. theta energy: -65.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -742.930515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.930515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.930515 (E_RNA) where: Base-Base interactions energy: -422.561 where: short stacking energy: -228.498 Base-Backbone interact. energy: 5.909 local terms energy: -326.279046 where: bonds (distance) C4'-P energy: -89.185 bonds (distance) P-C4' energy: -82.268 flat angles C4'-P-C4' energy: -85.376 flat angles P-C4'-P energy: -40.841 tors. eta vs tors. theta energy: -28.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -628.128271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.128271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.128271 (E_RNA) where: Base-Base interactions energy: -335.964 where: short stacking energy: -163.827 Base-Backbone interact. energy: 0.623 local terms energy: -292.787747 where: bonds (distance) C4'-P energy: -84.465 bonds (distance) P-C4' energy: -88.837 flat angles C4'-P-C4' energy: -71.143 flat angles P-C4'-P energy: -42.172 tors. eta vs tors. theta energy: -6.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -520.981948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.981948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.981948 (E_RNA) where: Base-Base interactions energy: -256.900 where: short stacking energy: -154.330 Base-Backbone interact. energy: -2.032 local terms energy: -262.049291 where: bonds (distance) C4'-P energy: -74.183 bonds (distance) P-C4' energy: -88.967 flat angles C4'-P-C4' energy: -67.221 flat angles P-C4'-P energy: -35.306 tors. eta vs tors. theta energy: 3.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1648.287000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.287000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.287000 (E_RNA) where: Base-Base interactions energy: -1139.528 where: short stacking energy: -505.851 Base-Backbone interact. energy: -1.857 local terms energy: -506.902307 where: bonds (distance) C4'-P energy: -92.847 bonds (distance) P-C4' energy: -81.922 flat angles C4'-P-C4' energy: -112.069 flat angles P-C4'-P energy: -72.389 tors. eta vs tors. theta energy: -147.675 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: 81 Temperature: 0.950000 Total energy: -1600.104084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.104084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.104084 (E_RNA) where: Base-Base interactions energy: -1083.164 where: short stacking energy: -487.721 Base-Backbone interact. energy: -0.787 local terms energy: -516.152973 where: bonds (distance) C4'-P energy: -87.350 bonds (distance) P-C4' energy: -107.472 flat angles C4'-P-C4' energy: -108.586 flat angles P-C4'-P energy: -72.812 tors. eta vs tors. theta energy: -139.932 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: 2 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1567.665082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.665082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.665082 (E_RNA) where: Base-Base interactions energy: -1055.874 where: short stacking energy: -464.926 Base-Backbone interact. energy: -1.557 local terms energy: -510.234128 where: bonds (distance) C4'-P energy: -91.489 bonds (distance) P-C4' energy: -100.270 flat angles C4'-P-C4' energy: -103.813 flat angles P-C4'-P energy: -76.139 tors. eta vs tors. theta energy: -138.523 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: 7 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1445.000993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.000993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.000993 (E_RNA) where: Base-Base interactions energy: -1009.418 where: short stacking energy: -412.102 Base-Backbone interact. energy: 2.262 local terms energy: -437.845463 where: bonds (distance) C4'-P energy: -88.913 bonds (distance) P-C4' energy: -101.701 flat angles C4'-P-C4' energy: -99.365 flat angles P-C4'-P energy: -49.296 tors. eta vs tors. theta energy: -98.570 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: 3 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1305.173365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.173365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.173365 (E_RNA) where: Base-Base interactions energy: -892.986 where: short stacking energy: -371.574 Base-Backbone interact. energy: -1.368 local terms energy: -410.819352 where: bonds (distance) C4'-P energy: -93.563 bonds (distance) P-C4' energy: -78.387 flat angles C4'-P-C4' energy: -93.090 flat angles P-C4'-P energy: -47.356 tors. eta vs tors. theta energy: -98.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1260.843668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.843668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.843668 (E_RNA) where: Base-Base interactions energy: -830.573 where: short stacking energy: -373.812 Base-Backbone interact. energy: -2.231 local terms energy: -428.039466 where: bonds (distance) C4'-P energy: -71.122 bonds (distance) P-C4' energy: -101.327 flat angles C4'-P-C4' energy: -95.192 flat angles P-C4'-P energy: -62.040 tors. eta vs tors. theta energy: -98.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1089.224944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.224944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.224944 (E_RNA) where: Base-Base interactions energy: -716.009 where: short stacking energy: -313.115 Base-Backbone interact. energy: -1.885 local terms energy: -371.331095 where: bonds (distance) C4'-P energy: -59.297 bonds (distance) P-C4' energy: -89.779 flat angles C4'-P-C4' energy: -93.589 flat angles P-C4'-P energy: -61.441 tors. eta vs tors. theta energy: -67.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -729.618724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.618724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.618724 (E_RNA) where: Base-Base interactions energy: -430.650 where: short stacking energy: -215.622 Base-Backbone interact. energy: -3.509 local terms energy: -295.459750 where: bonds (distance) C4'-P energy: -78.966 bonds (distance) P-C4' energy: -77.623 flat angles C4'-P-C4' energy: -68.643 flat angles P-C4'-P energy: -41.167 tors. eta vs tors. theta energy: -29.060 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: 1 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -612.372645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.372645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.372645 (E_RNA) where: Base-Base interactions energy: -335.039 where: short stacking energy: -161.964 Base-Backbone interact. energy: -0.168 local terms energy: -277.166045 where: bonds (distance) C4'-P energy: -79.469 bonds (distance) P-C4' energy: -80.953 flat angles C4'-P-C4' energy: -79.677 flat angles P-C4'-P energy: -33.226 tors. eta vs tors. theta energy: -3.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -537.834932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.834932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.834932 (E_RNA) where: Base-Base interactions energy: -284.874 where: short stacking energy: -147.494 Base-Backbone interact. energy: -1.025 local terms energy: -251.935460 where: bonds (distance) C4'-P energy: -77.958 bonds (distance) P-C4' energy: -85.107 flat angles C4'-P-C4' energy: -56.815 flat angles P-C4'-P energy: -41.244 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: 1, replica: 10 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1669.444428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.444428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.444428 (E_RNA) where: Base-Base interactions energy: -1149.826 where: short stacking energy: -471.886 Base-Backbone interact. energy: 0.069 local terms energy: -519.687534 where: bonds (distance) C4'-P energy: -97.634 bonds (distance) P-C4' energy: -96.482 flat angles C4'-P-C4' energy: -117.635 flat angles P-C4'-P energy: -69.513 tors. eta vs tors. theta energy: -138.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1591.959593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.959593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.959593 (E_RNA) where: Base-Base interactions energy: -1112.115 where: short stacking energy: -484.263 Base-Backbone interact. energy: -0.245 local terms energy: -479.599233 where: bonds (distance) C4'-P energy: -92.667 bonds (distance) P-C4' energy: -81.465 flat angles C4'-P-C4' energy: -97.979 flat angles P-C4'-P energy: -76.678 tors. eta vs tors. theta energy: -130.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1531.045770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.045770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.045770 (E_RNA) where: Base-Base interactions energy: -1035.434 where: short stacking energy: -448.303 Base-Backbone interact. energy: 0.913 local terms energy: -496.525407 where: bonds (distance) C4'-P energy: -91.236 bonds (distance) P-C4' energy: -91.902 flat angles C4'-P-C4' energy: -111.435 flat angles P-C4'-P energy: -66.759 tors. eta vs tors. theta energy: -135.194 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: 7 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1446.112603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.112603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.112603 (E_RNA) where: Base-Base interactions energy: -1007.439 where: short stacking energy: -389.730 Base-Backbone interact. energy: -4.054 local terms energy: -434.619251 where: bonds (distance) C4'-P energy: -79.465 bonds (distance) P-C4' energy: -96.737 flat angles C4'-P-C4' energy: -102.543 flat angles P-C4'-P energy: -62.963 tors. eta vs tors. theta energy: -92.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1291.271446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.271446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.271446 (E_RNA) where: Base-Base interactions energy: -872.987 where: short stacking energy: -382.341 Base-Backbone interact. energy: -3.138 local terms energy: -415.145728 where: bonds (distance) C4'-P energy: -88.763 bonds (distance) P-C4' energy: -89.400 flat angles C4'-P-C4' energy: -77.226 flat angles P-C4'-P energy: -63.266 tors. eta vs tors. theta energy: -96.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1289.653335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.653335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.653335 (E_RNA) where: Base-Base interactions energy: -893.135 where: short stacking energy: -375.957 Base-Backbone interact. energy: -2.179 local terms energy: -394.339385 where: bonds (distance) C4'-P energy: -81.105 bonds (distance) P-C4' energy: -78.522 flat angles C4'-P-C4' energy: -80.011 flat angles P-C4'-P energy: -56.932 tors. eta vs tors. theta energy: -97.770 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: 7, replica: 4 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1082.563869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.563869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.563869 (E_RNA) where: Base-Base interactions energy: -702.705 where: short stacking energy: -299.439 Base-Backbone interact. energy: -1.535 local terms energy: -378.323472 where: bonds (distance) C4'-P energy: -76.666 bonds (distance) P-C4' energy: -92.816 flat angles C4'-P-C4' energy: -89.376 flat angles P-C4'-P energy: -54.619 tors. eta vs tors. theta energy: -64.847 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: 5 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -770.672393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.672393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.672393 (E_RNA) where: Base-Base interactions energy: -451.214 where: short stacking energy: -241.471 Base-Backbone interact. energy: -1.368 local terms energy: -318.089738 where: bonds (distance) C4'-P energy: -78.939 bonds (distance) P-C4' energy: -86.344 flat angles C4'-P-C4' energy: -74.155 flat angles P-C4'-P energy: -45.151 tors. eta vs tors. theta energy: -33.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -631.137553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.137553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.137553 (E_RNA) where: Base-Base interactions energy: -350.899 where: short stacking energy: -198.429 Base-Backbone interact. energy: -1.262 local terms energy: -278.976169 where: bonds (distance) C4'-P energy: -78.292 bonds (distance) P-C4' energy: -75.721 flat angles C4'-P-C4' energy: -73.815 flat angles P-C4'-P energy: -29.518 tors. eta vs tors. theta energy: -21.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -633.918786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.918786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.918786 (E_RNA) where: Base-Base interactions energy: -363.890 where: short stacking energy: -186.341 Base-Backbone interact. energy: 1.296 local terms energy: -271.324384 where: bonds (distance) C4'-P energy: -77.483 bonds (distance) P-C4' energy: -70.012 flat angles C4'-P-C4' energy: -69.911 flat angles P-C4'-P energy: -45.898 tors. eta vs tors. theta energy: -8.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1656.519948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.519948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.519948 (E_RNA) where: Base-Base interactions energy: -1140.848 where: short stacking energy: -514.552 Base-Backbone interact. energy: -0.991 local terms energy: -514.681533 where: bonds (distance) C4'-P energy: -95.617 bonds (distance) P-C4' energy: -94.477 flat angles C4'-P-C4' energy: -111.344 flat angles P-C4'-P energy: -77.245 tors. eta vs tors. theta energy: -135.997 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: 8 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1599.302907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.302907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.302907 (E_RNA) where: Base-Base interactions energy: -1116.504 where: short stacking energy: -476.948 Base-Backbone interact. energy: 1.264 local terms energy: -484.062739 where: bonds (distance) C4'-P energy: -90.238 bonds (distance) P-C4' energy: -91.480 flat angles C4'-P-C4' energy: -100.737 flat angles P-C4'-P energy: -69.443 tors. eta vs tors. theta energy: -132.166 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: 83 Temperature: 1.000000 Total energy: -1547.982908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.982908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.982908 (E_RNA) where: Base-Base interactions energy: -1045.557 where: short stacking energy: -461.451 Base-Backbone interact. energy: -1.762 local terms energy: -500.663637 where: bonds (distance) C4'-P energy: -86.874 bonds (distance) P-C4' energy: -91.613 flat angles C4'-P-C4' energy: -110.223 flat angles P-C4'-P energy: -66.752 tors. eta vs tors. theta energy: -145.202 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: 7 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1478.562989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.562989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.562989 (E_RNA) where: Base-Base interactions energy: -1023.879 where: short stacking energy: -418.312 Base-Backbone interact. energy: -1.237 local terms energy: -453.446827 where: bonds (distance) C4'-P energy: -76.727 bonds (distance) P-C4' energy: -89.212 flat angles C4'-P-C4' energy: -100.103 flat angles P-C4'-P energy: -68.661 tors. eta vs tors. theta energy: -118.745 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: 83 Temperature: 1.100000 Total energy: -1329.137749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.137749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.137749 (E_RNA) where: Base-Base interactions energy: -901.187 where: short stacking energy: -375.082 Base-Backbone interact. energy: -2.485 local terms energy: -425.465980 where: bonds (distance) C4'-P energy: -89.814 bonds (distance) P-C4' energy: -80.051 flat angles C4'-P-C4' energy: -98.981 flat angles P-C4'-P energy: -59.118 tors. eta vs tors. theta energy: -97.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1265.955742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.955742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.955742 (E_RNA) where: Base-Base interactions energy: -848.019 where: short stacking energy: -361.477 Base-Backbone interact. energy: 5.567 local terms energy: -423.504360 where: bonds (distance) C4'-P energy: -93.274 bonds (distance) P-C4' energy: -86.904 flat angles C4'-P-C4' energy: -88.610 flat angles P-C4'-P energy: -62.343 tors. eta vs tors. theta energy: -92.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1087.614337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.614337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.614337 (E_RNA) where: Base-Base interactions energy: -734.606 where: short stacking energy: -324.958 Base-Backbone interact. energy: 0.045 local terms energy: -353.052397 where: bonds (distance) C4'-P energy: -75.960 bonds (distance) P-C4' energy: -77.799 flat angles C4'-P-C4' energy: -84.335 flat angles P-C4'-P energy: -48.714 tors. eta vs tors. theta energy: -66.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -742.601793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.601793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.601793 (E_RNA) where: Base-Base interactions energy: -434.644 where: short stacking energy: -213.068 Base-Backbone interact. energy: -0.681 local terms energy: -307.277264 where: bonds (distance) C4'-P energy: -68.816 bonds (distance) P-C4' energy: -87.720 flat angles C4'-P-C4' energy: -76.260 flat angles P-C4'-P energy: -47.663 tors. eta vs tors. theta energy: -26.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -587.860169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.860169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.860169 (E_RNA) where: Base-Base interactions energy: -294.334 where: short stacking energy: -171.566 Base-Backbone interact. energy: 1.080 local terms energy: -294.606068 where: bonds (distance) C4'-P energy: -79.753 bonds (distance) P-C4' energy: -73.627 flat angles C4'-P-C4' energy: -80.136 flat angles P-C4'-P energy: -51.046 tors. eta vs tors. theta energy: -10.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -547.830375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.830375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.830375 (E_RNA) where: Base-Base interactions energy: -298.543 where: short stacking energy: -175.999 Base-Backbone interact. energy: 7.755 local terms energy: -257.042685 where: bonds (distance) C4'-P energy: -62.711 bonds (distance) P-C4' energy: -70.945 flat angles C4'-P-C4' energy: -84.413 flat angles P-C4'-P energy: -29.645 tors. eta vs tors. theta energy: -9.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1631.832282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.832282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.832282 (E_RNA) where: Base-Base interactions energy: -1111.974 where: short stacking energy: -483.601 Base-Backbone interact. energy: 0.315 local terms energy: -520.173354 where: bonds (distance) C4'-P energy: -94.194 bonds (distance) P-C4' energy: -106.559 flat angles C4'-P-C4' energy: -109.086 flat angles P-C4'-P energy: -71.164 tors. eta vs tors. theta energy: -139.169 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: 10 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1623.807635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.807635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.807635 (E_RNA) where: Base-Base interactions energy: -1131.683 where: short stacking energy: -470.784 Base-Backbone interact. energy: -1.649 local terms energy: -490.475051 where: bonds (distance) C4'-P energy: -93.529 bonds (distance) P-C4' energy: -97.365 flat angles C4'-P-C4' energy: -106.230 flat angles P-C4'-P energy: -61.071 tors. eta vs tors. theta energy: -132.280 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: 2 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1567.332625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.332625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.332625 (E_RNA) where: Base-Base interactions energy: -1051.994 where: short stacking energy: -469.720 Base-Backbone interact. energy: 0.193 local terms energy: -515.532256 where: bonds (distance) C4'-P energy: -92.421 bonds (distance) P-C4' energy: -104.586 flat angles C4'-P-C4' energy: -108.303 flat angles P-C4'-P energy: -63.144 tors. eta vs tors. theta energy: -147.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1488.585062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.585062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.585062 (E_RNA) where: Base-Base interactions energy: -1023.959 where: short stacking energy: -423.386 Base-Backbone interact. energy: -2.276 local terms energy: -462.350172 where: bonds (distance) C4'-P energy: -83.963 bonds (distance) P-C4' energy: -96.814 flat angles C4'-P-C4' energy: -101.159 flat angles P-C4'-P energy: -64.851 tors. eta vs tors. theta energy: -115.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1371.570286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.570286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.570286 (E_RNA) where: Base-Base interactions energy: -938.745 where: short stacking energy: -421.584 Base-Backbone interact. energy: -0.368 local terms energy: -432.457784 where: bonds (distance) C4'-P energy: -84.801 bonds (distance) P-C4' energy: -84.153 flat angles C4'-P-C4' energy: -99.831 flat angles P-C4'-P energy: -54.892 tors. eta vs tors. theta energy: -108.781 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: 6 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1283.351472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.351472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.351472 (E_RNA) where: Base-Base interactions energy: -868.014 where: short stacking energy: -403.936 Base-Backbone interact. energy: -0.722 local terms energy: -414.615270 where: bonds (distance) C4'-P energy: -78.945 bonds (distance) P-C4' energy: -84.277 flat angles C4'-P-C4' energy: -95.233 flat angles P-C4'-P energy: -53.660 tors. eta vs tors. theta energy: -102.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1039.106818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.106818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.106818 (E_RNA) where: Base-Base interactions energy: -655.240 where: short stacking energy: -311.472 Base-Backbone interact. energy: -3.294 local terms energy: -380.573017 where: bonds (distance) C4'-P energy: -87.983 bonds (distance) P-C4' energy: -89.164 flat angles C4'-P-C4' energy: -93.316 flat angles P-C4'-P energy: -45.336 tors. eta vs tors. theta energy: -64.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -784.104404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.104404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.104404 (E_RNA) where: Base-Base interactions energy: -468.012 where: short stacking energy: -227.322 Base-Backbone interact. energy: 0.910 local terms energy: -317.002155 where: bonds (distance) C4'-P energy: -84.589 bonds (distance) P-C4' energy: -82.036 flat angles C4'-P-C4' energy: -72.551 flat angles P-C4'-P energy: -44.919 tors. eta vs tors. theta energy: -32.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -621.275755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.275755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.275755 (E_RNA) where: Base-Base interactions energy: -317.066 where: short stacking energy: -178.278 Base-Backbone interact. energy: -1.616 local terms energy: -302.593214 where: bonds (distance) C4'-P energy: -84.734 bonds (distance) P-C4' energy: -91.131 flat angles C4'-P-C4' energy: -79.411 flat angles P-C4'-P energy: -25.207 tors. eta vs tors. theta energy: -22.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -560.974946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.974946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.974946 (E_RNA) where: Base-Base interactions energy: -289.872 where: short stacking energy: -152.108 Base-Backbone interact. energy: -2.235 local terms energy: -268.868034 where: bonds (distance) C4'-P energy: -65.568 bonds (distance) P-C4' energy: -84.465 flat angles C4'-P-C4' energy: -69.305 flat angles P-C4'-P energy: -40.096 tors. eta vs tors. theta energy: -9.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1630.153314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.153314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.153314 (E_RNA) where: Base-Base interactions energy: -1111.656 where: short stacking energy: -481.371 Base-Backbone interact. energy: -0.799 local terms energy: -517.698513 where: bonds (distance) C4'-P energy: -96.128 bonds (distance) P-C4' energy: -101.920 flat angles C4'-P-C4' energy: -97.902 flat angles P-C4'-P energy: -84.069 tors. eta vs tors. theta energy: -137.679 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: 2 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1616.878538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.878538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.878538 (E_RNA) where: Base-Base interactions energy: -1097.053 where: short stacking energy: -495.213 Base-Backbone interact. energy: -1.155 local terms energy: -518.670872 where: bonds (distance) C4'-P energy: -93.378 bonds (distance) P-C4' energy: -81.125 flat angles C4'-P-C4' energy: -103.841 flat angles P-C4'-P energy: -79.563 tors. eta vs tors. theta energy: -160.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1564.379322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.379322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.379322 (E_RNA) where: Base-Base interactions energy: -1084.016 where: short stacking energy: -458.019 Base-Backbone interact. energy: 2.640 local terms energy: -483.003886 where: bonds (distance) C4'-P energy: -96.507 bonds (distance) P-C4' energy: -107.305 flat angles C4'-P-C4' energy: -100.248 flat angles P-C4'-P energy: -59.060 tors. eta vs tors. theta energy: -119.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1401.794514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.794514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.794514 (E_RNA) where: Base-Base interactions energy: -920.705 where: short stacking energy: -387.909 Base-Backbone interact. energy: 3.221 local terms energy: -484.310595 where: bonds (distance) C4'-P energy: -88.766 bonds (distance) P-C4' energy: -95.909 flat angles C4'-P-C4' energy: -114.625 flat angles P-C4'-P energy: -68.247 tors. eta vs tors. theta energy: -116.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1443.201212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.201212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.201212 (E_RNA) where: Base-Base interactions energy: -986.951 where: short stacking energy: -414.183 Base-Backbone interact. energy: -2.799 local terms energy: -453.451295 where: bonds (distance) C4'-P energy: -93.005 bonds (distance) P-C4' energy: -99.606 flat angles C4'-P-C4' energy: -98.450 flat angles P-C4'-P energy: -50.801 tors. eta vs tors. theta energy: -111.590 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: 6 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1285.658046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.658046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.658046 (E_RNA) where: Base-Base interactions energy: -872.709 where: short stacking energy: -380.284 Base-Backbone interact. energy: -1.952 local terms energy: -410.997326 where: bonds (distance) C4'-P energy: -83.000 bonds (distance) P-C4' energy: -78.827 flat angles C4'-P-C4' energy: -88.882 flat angles P-C4'-P energy: -49.794 tors. eta vs tors. theta energy: -110.494 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: 4 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1092.461966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.461966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.461966 (E_RNA) where: Base-Base interactions energy: -688.078 where: short stacking energy: -306.794 Base-Backbone interact. energy: -3.293 local terms energy: -401.091087 where: bonds (distance) C4'-P energy: -79.072 bonds (distance) P-C4' energy: -83.720 flat angles C4'-P-C4' energy: -95.687 flat angles P-C4'-P energy: -57.959 tors. eta vs tors. theta energy: -84.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -793.543694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.543694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.543694 (E_RNA) where: Base-Base interactions energy: -457.153 where: short stacking energy: -221.771 Base-Backbone interact. energy: -1.113 local terms energy: -335.277813 where: bonds (distance) C4'-P energy: -68.007 bonds (distance) P-C4' energy: -95.613 flat angles C4'-P-C4' energy: -75.794 flat angles P-C4'-P energy: -66.736 tors. eta vs tors. theta energy: -29.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -628.397494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.397494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.397494 (E_RNA) where: Base-Base interactions energy: -332.228 where: short stacking energy: -186.343 Base-Backbone interact. energy: -0.379 local terms energy: -295.790788 where: bonds (distance) C4'-P energy: -70.575 bonds (distance) P-C4' energy: -82.852 flat angles C4'-P-C4' energy: -84.154 flat angles P-C4'-P energy: -45.889 tors. eta vs tors. theta energy: -12.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -597.043345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.043345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.043345 (E_RNA) where: Base-Base interactions energy: -335.723 where: short stacking energy: -171.689 Base-Backbone interact. energy: 0.421 local terms energy: -261.740656 where: bonds (distance) C4'-P energy: -77.766 bonds (distance) P-C4' energy: -78.939 flat angles C4'-P-C4' energy: -66.624 flat angles P-C4'-P energy: -38.206 tors. eta vs tors. theta energy: -0.204 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: 2 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1649.507082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.507082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.507082 (E_RNA) where: Base-Base interactions energy: -1125.742 where: short stacking energy: -515.788 Base-Backbone interact. energy: -1.009 local terms energy: -522.756660 where: bonds (distance) C4'-P energy: -92.985 bonds (distance) P-C4' energy: -91.668 flat angles C4'-P-C4' energy: -105.539 flat angles P-C4'-P energy: -75.031 tors. eta vs tors. theta energy: -157.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1615.899883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.899883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.899883 (E_RNA) where: Base-Base interactions energy: -1114.337 where: short stacking energy: -506.731 Base-Backbone interact. energy: 0.036 local terms energy: -501.599151 where: bonds (distance) C4'-P energy: -93.994 bonds (distance) P-C4' energy: -79.744 flat angles C4'-P-C4' energy: -101.847 flat angles P-C4'-P energy: -80.228 tors. eta vs tors. theta energy: -145.787 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: 10 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1549.301074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.301074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.301074 (E_RNA) where: Base-Base interactions energy: -1070.079 where: short stacking energy: -433.043 Base-Backbone interact. energy: -1.018 local terms energy: -478.203926 where: bonds (distance) C4'-P energy: -86.075 bonds (distance) P-C4' energy: -93.828 flat angles C4'-P-C4' energy: -105.874 flat angles P-C4'-P energy: -65.294 tors. eta vs tors. theta energy: -127.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1394.540491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.540491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.540491 (E_RNA) where: Base-Base interactions energy: -966.201 where: short stacking energy: -430.362 Base-Backbone interact. energy: -4.044 local terms energy: -424.295939 where: bonds (distance) C4'-P energy: -72.820 bonds (distance) P-C4' energy: -86.908 flat angles C4'-P-C4' energy: -97.750 flat angles P-C4'-P energy: -52.060 tors. eta vs tors. theta energy: -114.758 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: 7 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1388.467420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.467420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.467420 (E_RNA) where: Base-Base interactions energy: -977.450 where: short stacking energy: -396.244 Base-Backbone interact. energy: -1.422 local terms energy: -409.595524 where: bonds (distance) C4'-P energy: -72.298 bonds (distance) P-C4' energy: -92.815 flat angles C4'-P-C4' energy: -89.005 flat angles P-C4'-P energy: -48.812 tors. eta vs tors. theta energy: -106.667 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: 6, replica: 6 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1285.253931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.253931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.253931 (E_RNA) where: Base-Base interactions energy: -852.646 where: short stacking energy: -376.587 Base-Backbone interact. energy: 1.701 local terms energy: -434.308473 where: bonds (distance) C4'-P energy: -79.929 bonds (distance) P-C4' energy: -94.258 flat angles C4'-P-C4' energy: -89.648 flat angles P-C4'-P energy: -69.121 tors. eta vs tors. theta energy: -101.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1051.123220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.123220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.123220 (E_RNA) where: Base-Base interactions energy: -685.161 where: short stacking energy: -301.129 Base-Backbone interact. energy: 1.992 local terms energy: -367.954641 where: bonds (distance) C4'-P energy: -75.637 bonds (distance) P-C4' energy: -92.662 flat angles C4'-P-C4' energy: -81.146 flat angles P-C4'-P energy: -45.189 tors. eta vs tors. theta energy: -73.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -801.647810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.647810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.647810 (E_RNA) where: Base-Base interactions energy: -480.803 where: short stacking energy: -237.309 Base-Backbone interact. energy: -2.998 local terms energy: -317.846398 where: bonds (distance) C4'-P energy: -67.018 bonds (distance) P-C4' energy: -84.666 flat angles C4'-P-C4' energy: -94.964 flat angles P-C4'-P energy: -35.950 tors. eta vs tors. theta energy: -35.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -591.968080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.968080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.968080 (E_RNA) where: Base-Base interactions energy: -296.210 where: short stacking energy: -177.014 Base-Backbone interact. energy: -0.891 local terms energy: -294.866662 where: bonds (distance) C4'-P energy: -71.005 bonds (distance) P-C4' energy: -88.879 flat angles C4'-P-C4' energy: -62.250 flat angles P-C4'-P energy: -50.466 tors. eta vs tors. theta energy: -22.268 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: 1 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -498.894198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.894198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.894198 (E_RNA) where: Base-Base interactions energy: -222.674 where: short stacking energy: -122.345 Base-Backbone interact. energy: -0.722 local terms energy: -275.498196 where: bonds (distance) C4'-P energy: -81.664 bonds (distance) P-C4' energy: -85.626 flat angles C4'-P-C4' energy: -77.631 flat angles P-C4'-P energy: -41.991 tors. eta vs tors. theta energy: 11.414 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: 87 Temperature: 0.900000 Total energy: -1641.945875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.945875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.945875 (E_RNA) where: Base-Base interactions energy: -1100.183 where: short stacking energy: -510.342 Base-Backbone interact. energy: -2.515 local terms energy: -539.247916 where: bonds (distance) C4'-P energy: -94.301 bonds (distance) P-C4' energy: -106.565 flat angles C4'-P-C4' energy: -110.470 flat angles P-C4'-P energy: -83.509 tors. eta vs tors. theta energy: -144.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1618.638216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.638216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.638216 (E_RNA) where: Base-Base interactions energy: -1105.380 where: short stacking energy: -484.643 Base-Backbone interact. energy: -2.600 local terms energy: -510.658465 where: bonds (distance) C4'-P energy: -84.977 bonds (distance) P-C4' energy: -100.155 flat angles C4'-P-C4' energy: -109.662 flat angles P-C4'-P energy: -70.593 tors. eta vs tors. theta energy: -145.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1540.495360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.495360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.495360 (E_RNA) where: Base-Base interactions energy: -1061.578 where: short stacking energy: -460.495 Base-Backbone interact. energy: -0.956 local terms energy: -477.962077 where: bonds (distance) C4'-P energy: -96.423 bonds (distance) P-C4' energy: -87.650 flat angles C4'-P-C4' energy: -100.282 flat angles P-C4'-P energy: -64.058 tors. eta vs tors. theta energy: -129.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1411.818140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.818140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.818140 (E_RNA) where: Base-Base interactions energy: -959.801 where: short stacking energy: -423.196 Base-Backbone interact. energy: 1.835 local terms energy: -453.852041 where: bonds (distance) C4'-P energy: -80.725 bonds (distance) P-C4' energy: -99.060 flat angles C4'-P-C4' energy: -93.386 flat angles P-C4'-P energy: -64.285 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: 5, replica: 7 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1348.868796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.868796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.868796 (E_RNA) where: Base-Base interactions energy: -924.470 where: short stacking energy: -381.010 Base-Backbone interact. energy: -2.102 local terms energy: -422.296233 where: bonds (distance) C4'-P energy: -74.786 bonds (distance) P-C4' energy: -90.348 flat angles C4'-P-C4' energy: -105.240 flat angles P-C4'-P energy: -48.665 tors. eta vs tors. theta energy: -103.257 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: 6 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1286.713146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.713146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.713146 (E_RNA) where: Base-Base interactions energy: -873.385 where: short stacking energy: -361.080 Base-Backbone interact. energy: 0.772 local terms energy: -414.099992 where: bonds (distance) C4'-P energy: -83.253 bonds (distance) P-C4' energy: -95.710 flat angles C4'-P-C4' energy: -94.189 flat angles P-C4'-P energy: -46.714 tors. eta vs tors. theta energy: -94.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1061.421003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.421003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.421003 (E_RNA) where: Base-Base interactions energy: -682.478 where: short stacking energy: -315.457 Base-Backbone interact. energy: 2.579 local terms energy: -381.521873 where: bonds (distance) C4'-P energy: -92.466 bonds (distance) P-C4' energy: -73.378 flat angles C4'-P-C4' energy: -86.531 flat angles P-C4'-P energy: -56.438 tors. eta vs tors. theta energy: -72.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -809.618474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.618474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.618474 (E_RNA) where: Base-Base interactions energy: -499.435 where: short stacking energy: -243.538 Base-Backbone interact. energy: 3.679 local terms energy: -313.863017 where: bonds (distance) C4'-P energy: -61.803 bonds (distance) P-C4' energy: -92.438 flat angles C4'-P-C4' energy: -90.672 flat angles P-C4'-P energy: -37.256 tors. eta vs tors. theta energy: -31.694 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: 9 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -635.768303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.768303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.768303 (E_RNA) where: Base-Base interactions energy: -318.377 where: short stacking energy: -211.352 Base-Backbone interact. energy: -0.381 local terms energy: -317.010285 where: bonds (distance) C4'-P energy: -83.182 bonds (distance) P-C4' energy: -80.142 flat angles C4'-P-C4' energy: -71.680 flat angles P-C4'-P energy: -46.088 tors. eta vs tors. theta energy: -35.919 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: 1 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -496.986874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.986874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.986874 (E_RNA) where: Base-Base interactions energy: -243.378 where: short stacking energy: -145.059 Base-Backbone interact. energy: -0.967 local terms energy: -252.641993 where: bonds (distance) C4'-P energy: -55.320 bonds (distance) P-C4' energy: -97.567 flat angles C4'-P-C4' energy: -59.036 flat angles P-C4'-P energy: -34.806 tors. eta vs tors. theta energy: -5.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1660.945839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.945839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.945839 (E_RNA) where: Base-Base interactions energy: -1113.639 where: short stacking energy: -507.965 Base-Backbone interact. energy: -1.336 local terms energy: -545.970582 where: bonds (distance) C4'-P energy: -97.019 bonds (distance) P-C4' energy: -103.052 flat angles C4'-P-C4' energy: -109.200 flat angles P-C4'-P energy: -79.996 tors. eta vs tors. theta energy: -156.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1627.142247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.142247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.142247 (E_RNA) where: Base-Base interactions energy: -1138.740 where: short stacking energy: -495.926 Base-Backbone interact. energy: -0.823 local terms energy: -487.579867 where: bonds (distance) C4'-P energy: -93.845 bonds (distance) P-C4' energy: -76.797 flat angles C4'-P-C4' energy: -96.097 flat angles P-C4'-P energy: -69.566 tors. eta vs tors. theta energy: -151.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1536.504112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.504112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.504112 (E_RNA) where: Base-Base interactions energy: -1066.906 where: short stacking energy: -455.055 Base-Backbone interact. energy: -1.945 local terms energy: -467.653060 where: bonds (distance) C4'-P energy: -77.525 bonds (distance) P-C4' energy: -90.252 flat angles C4'-P-C4' energy: -101.072 flat angles P-C4'-P energy: -71.767 tors. eta vs tors. theta energy: -127.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1362.622123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.622123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.622123 (E_RNA) where: Base-Base interactions energy: -903.083 where: short stacking energy: -416.704 Base-Backbone interact. energy: -2.342 local terms energy: -457.197217 where: bonds (distance) C4'-P energy: -80.588 bonds (distance) P-C4' energy: -93.196 flat angles C4'-P-C4' energy: -94.760 flat angles P-C4'-P energy: -64.341 tors. eta vs tors. theta energy: -124.313 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: 7 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1351.055602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.055602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.055602 (E_RNA) where: Base-Base interactions energy: -942.053 where: short stacking energy: -386.783 Base-Backbone interact. energy: -0.422 local terms energy: -408.580184 where: bonds (distance) C4'-P energy: -79.337 bonds (distance) P-C4' energy: -86.547 flat angles C4'-P-C4' energy: -96.962 flat angles P-C4'-P energy: -55.505 tors. eta vs tors. theta energy: -90.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1299.802328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.802328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.802328 (E_RNA) where: Base-Base interactions energy: -856.407 where: short stacking energy: -361.875 Base-Backbone interact. energy: -0.074 local terms energy: -443.322031 where: bonds (distance) C4'-P energy: -90.861 bonds (distance) P-C4' energy: -78.454 flat angles C4'-P-C4' energy: -100.782 flat angles P-C4'-P energy: -66.655 tors. eta vs tors. theta energy: -106.570 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: 4 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1035.794664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.794664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.794664 (E_RNA) where: Base-Base interactions energy: -656.516 where: short stacking energy: -307.364 Base-Backbone interact. energy: -1.950 local terms energy: -377.329401 where: bonds (distance) C4'-P energy: -80.256 bonds (distance) P-C4' energy: -83.471 flat angles C4'-P-C4' energy: -93.077 flat angles P-C4'-P energy: -51.884 tors. eta vs tors. theta energy: -68.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -815.849936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.849936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.849936 (E_RNA) where: Base-Base interactions energy: -493.849 where: short stacking energy: -243.833 Base-Backbone interact. energy: -1.431 local terms energy: -320.570135 where: bonds (distance) C4'-P energy: -70.184 bonds (distance) P-C4' energy: -85.130 flat angles C4'-P-C4' energy: -93.967 flat angles P-C4'-P energy: -43.312 tors. eta vs tors. theta energy: -27.978 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: 9 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -612.326265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.326265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.326265 (E_RNA) where: Base-Base interactions energy: -344.432 where: short stacking energy: -184.101 Base-Backbone interact. energy: 0.176 local terms energy: -268.070134 where: bonds (distance) C4'-P energy: -73.445 bonds (distance) P-C4' energy: -84.966 flat angles C4'-P-C4' energy: -77.148 flat angles P-C4'-P energy: -27.066 tors. eta vs tors. theta energy: -5.445 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: 1 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -565.973005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.973005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.973005 (E_RNA) where: Base-Base interactions energy: -292.435 where: short stacking energy: -162.594 Base-Backbone interact. energy: 0.196 local terms energy: -273.734004 where: bonds (distance) C4'-P energy: -73.895 bonds (distance) P-C4' energy: -74.838 flat angles C4'-P-C4' energy: -78.378 flat angles P-C4'-P energy: -39.894 tors. eta vs tors. theta energy: -6.728 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: 2 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1678.372498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.372498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.372498 (E_RNA) where: Base-Base interactions energy: -1143.916 where: short stacking energy: -493.408 Base-Backbone interact. energy: -3.295 local terms energy: -531.162196 where: bonds (distance) C4'-P energy: -93.486 bonds (distance) P-C4' energy: -105.310 flat angles C4'-P-C4' energy: -104.818 flat angles P-C4'-P energy: -79.517 tors. eta vs tors. theta energy: -148.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1623.021401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.021401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.021401 (E_RNA) where: Base-Base interactions energy: -1131.205 where: short stacking energy: -495.260 Base-Backbone interact. energy: -1.691 local terms energy: -490.125073 where: bonds (distance) C4'-P energy: -95.409 bonds (distance) P-C4' energy: -90.335 flat angles C4'-P-C4' energy: -98.950 flat angles P-C4'-P energy: -70.776 tors. eta vs tors. theta energy: -134.656 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: 10 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1493.694142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.694142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.694142 (E_RNA) where: Base-Base interactions energy: -1036.086 where: short stacking energy: -430.968 Base-Backbone interact. energy: -1.384 local terms energy: -456.223932 where: bonds (distance) C4'-P energy: -77.426 bonds (distance) P-C4' energy: -95.222 flat angles C4'-P-C4' energy: -96.318 flat angles P-C4'-P energy: -67.762 tors. eta vs tors. theta energy: -119.497 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: 7 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1383.692785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.692785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.692785 (E_RNA) where: Base-Base interactions energy: -956.481 where: short stacking energy: -406.810 Base-Backbone interact. energy: -3.154 local terms energy: -424.057456 where: bonds (distance) C4'-P energy: -86.508 bonds (distance) P-C4' energy: -89.494 flat angles C4'-P-C4' energy: -96.967 flat angles P-C4'-P energy: -57.219 tors. eta vs tors. theta energy: -93.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1350.560927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.560927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.560927 (E_RNA) where: Base-Base interactions energy: -930.754 where: short stacking energy: -361.926 Base-Backbone interact. energy: 0.599 local terms energy: -420.406014 where: bonds (distance) C4'-P energy: -79.899 bonds (distance) P-C4' energy: -96.612 flat angles C4'-P-C4' energy: -91.995 flat angles P-C4'-P energy: -53.945 tors. eta vs tors. theta energy: -97.955 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: 6 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1322.554744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.554744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.554744 (E_RNA) where: Base-Base interactions energy: -876.422 where: short stacking energy: -401.138 Base-Backbone interact. energy: -0.749 local terms energy: -445.383483 where: bonds (distance) C4'-P energy: -85.128 bonds (distance) P-C4' energy: -91.964 flat angles C4'-P-C4' energy: -91.953 flat angles P-C4'-P energy: -58.594 tors. eta vs tors. theta energy: -117.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1045.919252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.919252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.919252 (E_RNA) where: Base-Base interactions energy: -662.334 where: short stacking energy: -281.887 Base-Backbone interact. energy: -0.499 local terms energy: -383.085772 where: bonds (distance) C4'-P energy: -88.627 bonds (distance) P-C4' energy: -85.327 flat angles C4'-P-C4' energy: -87.532 flat angles P-C4'-P energy: -64.003 tors. eta vs tors. theta energy: -57.596 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: 5 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -856.074980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.074980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.074980 (E_RNA) where: Base-Base interactions energy: -502.180 where: short stacking energy: -244.509 Base-Backbone interact. energy: 1.448 local terms energy: -355.343672 where: bonds (distance) C4'-P energy: -80.355 bonds (distance) P-C4' energy: -85.271 flat angles C4'-P-C4' energy: -81.526 flat angles P-C4'-P energy: -57.661 tors. eta vs tors. theta energy: -50.531 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: 9, replica: 9 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -659.060909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.060909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.060909 (E_RNA) where: Base-Base interactions energy: -369.293 where: short stacking energy: -186.619 Base-Backbone interact. energy: -0.379 local terms energy: -289.389373 where: bonds (distance) C4'-P energy: -75.481 bonds (distance) P-C4' energy: -49.775 flat angles C4'-P-C4' energy: -78.354 flat angles P-C4'-P energy: -59.094 tors. eta vs tors. theta energy: -26.685 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: 1 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -605.722269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.722269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.722269 (E_RNA) where: Base-Base interactions energy: -311.075 where: short stacking energy: -166.597 Base-Backbone interact. energy: 0.145 local terms energy: -294.792401 where: bonds (distance) C4'-P energy: -81.884 bonds (distance) P-C4' energy: -87.496 flat angles C4'-P-C4' energy: -65.050 flat angles P-C4'-P energy: -37.411 tors. eta vs tors. theta energy: -22.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1659.182169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.182169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.182169 (E_RNA) where: Base-Base interactions energy: -1127.518 where: short stacking energy: -498.420 Base-Backbone interact. energy: 0.038 local terms energy: -531.701576 where: bonds (distance) C4'-P energy: -91.956 bonds (distance) P-C4' energy: -98.502 flat angles C4'-P-C4' energy: -115.173 flat angles P-C4'-P energy: -84.244 tors. eta vs tors. theta energy: -141.826 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: 90 Temperature: 0.950000 Total energy: -1632.423902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.423902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.423902 (E_RNA) where: Base-Base interactions energy: -1131.188 where: short stacking energy: -492.078 Base-Backbone interact. energy: -1.693 local terms energy: -499.542406 where: bonds (distance) C4'-P energy: -88.868 bonds (distance) P-C4' energy: -92.556 flat angles C4'-P-C4' energy: -105.955 flat angles P-C4'-P energy: -69.334 tors. eta vs tors. theta energy: -142.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1481.170836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.170836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.170836 (E_RNA) where: Base-Base interactions energy: -1005.288 where: short stacking energy: -413.350 Base-Backbone interact. energy: -1.026 local terms energy: -474.856651 where: bonds (distance) C4'-P energy: -99.388 bonds (distance) P-C4' energy: -97.407 flat angles C4'-P-C4' energy: -94.352 flat angles P-C4'-P energy: -66.270 tors. eta vs tors. theta energy: -117.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1365.603212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.603212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.603212 (E_RNA) where: Base-Base interactions energy: -938.697 where: short stacking energy: -389.299 Base-Backbone interact. energy: -1.715 local terms energy: -425.190960 where: bonds (distance) C4'-P energy: -86.602 bonds (distance) P-C4' energy: -70.712 flat angles C4'-P-C4' energy: -102.413 flat angles P-C4'-P energy: -60.043 tors. eta vs tors. theta energy: -105.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1376.949475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.949475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.949475 (E_RNA) where: Base-Base interactions energy: -933.569 where: short stacking energy: -429.845 Base-Backbone interact. energy: -0.028 local terms energy: -443.352535 where: bonds (distance) C4'-P energy: -77.843 bonds (distance) P-C4' energy: -90.649 flat angles C4'-P-C4' energy: -107.273 flat angles P-C4'-P energy: -56.574 tors. eta vs tors. theta energy: -111.014 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: 3 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1289.719703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.719703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.719703 (E_RNA) where: Base-Base interactions energy: -872.705 where: short stacking energy: -358.694 Base-Backbone interact. energy: 2.489 local terms energy: -419.503049 where: bonds (distance) C4'-P energy: -82.150 bonds (distance) P-C4' energy: -88.303 flat angles C4'-P-C4' energy: -95.367 flat angles P-C4'-P energy: -64.662 tors. eta vs tors. theta energy: -89.020 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: 4 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1030.627865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.627865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.627865 (E_RNA) where: Base-Base interactions energy: -670.244 where: short stacking energy: -293.643 Base-Backbone interact. energy: -2.338 local terms energy: -358.046612 where: bonds (distance) C4'-P energy: -73.175 bonds (distance) P-C4' energy: -86.092 flat angles C4'-P-C4' energy: -85.352 flat angles P-C4'-P energy: -58.013 tors. eta vs tors. theta energy: -55.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -806.363798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.363798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.363798 (E_RNA) where: Base-Base interactions energy: -469.692 where: short stacking energy: -223.375 Base-Backbone interact. energy: -0.635 local terms energy: -336.037323 where: bonds (distance) C4'-P energy: -87.808 bonds (distance) P-C4' energy: -73.843 flat angles C4'-P-C4' energy: -82.803 flat angles P-C4'-P energy: -46.097 tors. eta vs tors. theta energy: -45.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -627.200814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.200814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.200814 (E_RNA) where: Base-Base interactions energy: -343.344 where: short stacking energy: -186.949 Base-Backbone interact. energy: 1.711 local terms energy: -285.567937 where: bonds (distance) C4'-P energy: -89.152 bonds (distance) P-C4' energy: -80.164 flat angles C4'-P-C4' energy: -66.872 flat angles P-C4'-P energy: -38.263 tors. eta vs tors. theta energy: -11.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -602.711360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.711360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.711360 (E_RNA) where: Base-Base interactions energy: -308.831 where: short stacking energy: -162.536 Base-Backbone interact. energy: 1.739 local terms energy: -295.619734 where: bonds (distance) C4'-P energy: -74.869 bonds (distance) P-C4' energy: -88.224 flat angles C4'-P-C4' energy: -72.518 flat angles P-C4'-P energy: -41.805 tors. eta vs tors. theta energy: -18.204 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: 2 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1696.335133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.335133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.335133 (E_RNA) where: Base-Base interactions energy: -1146.740 where: short stacking energy: -534.782 Base-Backbone interact. energy: -1.071 local terms energy: -548.524244 where: bonds (distance) C4'-P energy: -101.231 bonds (distance) P-C4' energy: -94.181 flat angles C4'-P-C4' energy: -112.814 flat angles P-C4'-P energy: -76.203 tors. eta vs tors. theta energy: -164.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1627.882210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.882210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.882210 (E_RNA) where: Base-Base interactions energy: -1142.540 where: short stacking energy: -487.439 Base-Backbone interact. energy: -1.649 local terms energy: -483.693369 where: bonds (distance) C4'-P energy: -92.512 bonds (distance) P-C4' energy: -82.808 flat angles C4'-P-C4' energy: -110.693 flat angles P-C4'-P energy: -58.583 tors. eta vs tors. theta energy: -139.097 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: 91 Temperature: 1.000000 Total energy: -1536.600499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.600499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.600499 (E_RNA) where: Base-Base interactions energy: -1060.520 where: short stacking energy: -448.387 Base-Backbone interact. energy: -3.636 local terms energy: -472.444073 where: bonds (distance) C4'-P energy: -87.942 bonds (distance) P-C4' energy: -88.610 flat angles C4'-P-C4' energy: -102.546 flat angles P-C4'-P energy: -67.949 tors. eta vs tors. theta energy: -125.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1454.237413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.237413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.237413 (E_RNA) where: Base-Base interactions energy: -964.007 where: short stacking energy: -439.718 Base-Backbone interact. energy: -1.037 local terms energy: -489.193595 where: bonds (distance) C4'-P energy: -89.709 bonds (distance) P-C4' energy: -99.400 flat angles C4'-P-C4' energy: -96.660 flat angles P-C4'-P energy: -69.916 tors. eta vs tors. theta energy: -133.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1338.169956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.169956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.169956 (E_RNA) where: Base-Base interactions energy: -938.312 where: short stacking energy: -406.361 Base-Backbone interact. energy: -1.213 local terms energy: -398.645363 where: bonds (distance) C4'-P energy: -67.634 bonds (distance) P-C4' energy: -87.367 flat angles C4'-P-C4' energy: -99.402 flat angles P-C4'-P energy: -40.289 tors. eta vs tors. theta energy: -103.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1276.926032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.926032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.926032 (E_RNA) where: Base-Base interactions energy: -885.060 where: short stacking energy: -350.837 Base-Backbone interact. energy: -2.286 local terms energy: -389.580005 where: bonds (distance) C4'-P energy: -72.624 bonds (distance) P-C4' energy: -88.031 flat angles C4'-P-C4' energy: -85.928 flat angles P-C4'-P energy: -51.214 tors. eta vs tors. theta energy: -91.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -989.032153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.032153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.032153 (E_RNA) where: Base-Base interactions energy: -616.809 where: short stacking energy: -289.123 Base-Backbone interact. energy: 0.068 local terms energy: -372.291036 where: bonds (distance) C4'-P energy: -89.428 bonds (distance) P-C4' energy: -75.708 flat angles C4'-P-C4' energy: -88.255 flat angles P-C4'-P energy: -45.318 tors. eta vs tors. theta energy: -73.582 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: 5 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -818.192402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.192402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.192402 (E_RNA) where: Base-Base interactions energy: -496.431 where: short stacking energy: -228.590 Base-Backbone interact. energy: -1.184 local terms energy: -320.577447 where: bonds (distance) C4'-P energy: -66.300 bonds (distance) P-C4' energy: -89.916 flat angles C4'-P-C4' energy: -80.260 flat angles P-C4'-P energy: -49.492 tors. eta vs tors. theta energy: -34.610 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: 1 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -634.756383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.756383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.756383 (E_RNA) where: Base-Base interactions energy: -347.955 where: short stacking energy: -197.791 Base-Backbone interact. energy: 1.368 local terms energy: -288.169781 where: bonds (distance) C4'-P energy: -86.623 bonds (distance) P-C4' energy: -59.854 flat angles C4'-P-C4' energy: -89.833 flat angles P-C4'-P energy: -42.424 tors. eta vs tors. theta energy: -9.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -541.920827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.920827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.920827 (E_RNA) where: Base-Base interactions energy: -269.265 where: short stacking energy: -154.322 Base-Backbone interact. energy: 5.278 local terms energy: -277.933080 where: bonds (distance) C4'-P energy: -63.302 bonds (distance) P-C4' energy: -90.494 flat angles C4'-P-C4' energy: -84.077 flat angles P-C4'-P energy: -40.304 tors. eta vs tors. theta energy: 0.244 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: 2 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1657.165507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.165507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.165507 (E_RNA) where: Base-Base interactions energy: -1123.848 where: short stacking energy: -501.957 Base-Backbone interact. energy: -0.879 local terms energy: -532.438027 where: bonds (distance) C4'-P energy: -89.931 bonds (distance) P-C4' energy: -96.686 flat angles C4'-P-C4' energy: -108.695 flat angles P-C4'-P energy: -79.666 tors. eta vs tors. theta energy: -157.460 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: 2, replica: 8 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1600.321732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.321732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.321732 (E_RNA) where: Base-Base interactions energy: -1110.199 where: short stacking energy: -470.458 Base-Backbone interact. energy: -3.609 local terms energy: -486.513089 where: bonds (distance) C4'-P energy: -87.241 bonds (distance) P-C4' energy: -99.677 flat angles C4'-P-C4' energy: -101.911 flat angles P-C4'-P energy: -73.523 tors. eta vs tors. theta energy: -124.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1565.337576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.337576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.337576 (E_RNA) where: Base-Base interactions energy: -1071.984 where: short stacking energy: -458.481 Base-Backbone interact. energy: 0.036 local terms energy: -493.389476 where: bonds (distance) C4'-P energy: -86.972 bonds (distance) P-C4' energy: -98.300 flat angles C4'-P-C4' energy: -104.457 flat angles P-C4'-P energy: -77.052 tors. eta vs tors. theta energy: -126.609 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: 92 Temperature: 1.050000 Total energy: -1456.295634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.295634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.295634 (E_RNA) where: Base-Base interactions energy: -988.694 where: short stacking energy: -445.527 Base-Backbone interact. energy: -1.315 local terms energy: -466.286863 where: bonds (distance) C4'-P energy: -79.941 bonds (distance) P-C4' energy: -89.391 flat angles C4'-P-C4' energy: -96.667 flat angles P-C4'-P energy: -66.456 tors. eta vs tors. theta energy: -133.832 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: 7 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1325.395762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.395762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.395762 (E_RNA) where: Base-Base interactions energy: -901.430 where: short stacking energy: -380.455 Base-Backbone interact. energy: -2.716 local terms energy: -421.249579 where: bonds (distance) C4'-P energy: -76.398 bonds (distance) P-C4' energy: -71.175 flat angles C4'-P-C4' energy: -107.759 flat angles P-C4'-P energy: -69.398 tors. eta vs tors. theta energy: -96.520 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: 3 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1236.608198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.608198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.608198 (E_RNA) where: Base-Base interactions energy: -826.624 where: short stacking energy: -362.033 Base-Backbone interact. energy: 0.519 local terms energy: -410.503008 where: bonds (distance) C4'-P energy: -88.697 bonds (distance) P-C4' energy: -79.304 flat angles C4'-P-C4' energy: -95.777 flat angles P-C4'-P energy: -51.646 tors. eta vs tors. theta energy: -95.079 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: 7, replica: 4 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -956.314984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.314984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.314984 (E_RNA) where: Base-Base interactions energy: -582.703 where: short stacking energy: -256.749 Base-Backbone interact. energy: -0.927 local terms energy: -372.684868 where: bonds (distance) C4'-P energy: -83.562 bonds (distance) P-C4' energy: -89.997 flat angles C4'-P-C4' energy: -87.431 flat angles P-C4'-P energy: -54.953 tors. eta vs tors. theta energy: -56.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -826.936016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.936016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.936016 (E_RNA) where: Base-Base interactions energy: -511.713 where: short stacking energy: -227.069 Base-Backbone interact. energy: -0.332 local terms energy: -314.891760 where: bonds (distance) C4'-P energy: -66.965 bonds (distance) P-C4' energy: -91.124 flat angles C4'-P-C4' energy: -90.327 flat angles P-C4'-P energy: -30.343 tors. eta vs tors. theta energy: -36.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -664.151736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.151736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.151736 (E_RNA) where: Base-Base interactions energy: -396.884 where: short stacking energy: -208.383 Base-Backbone interact. energy: 0.516 local terms energy: -267.783696 where: bonds (distance) C4'-P energy: -74.980 bonds (distance) P-C4' energy: -77.128 flat angles C4'-P-C4' energy: -58.335 flat angles P-C4'-P energy: -42.121 tors. eta vs tors. theta energy: -15.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -563.559899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.559899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.559899 (E_RNA) where: Base-Base interactions energy: -273.720 where: short stacking energy: -158.624 Base-Backbone interact. energy: 1.328 local terms energy: -291.167734 where: bonds (distance) C4'-P energy: -83.534 bonds (distance) P-C4' energy: -79.179 flat angles C4'-P-C4' energy: -76.918 flat angles P-C4'-P energy: -42.716 tors. eta vs tors. theta energy: -8.822 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: 2 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1627.076833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.076833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.076833 (E_RNA) where: Base-Base interactions energy: -1105.525 where: short stacking energy: -487.430 Base-Backbone interact. energy: 0.051 local terms energy: -521.603187 where: bonds (distance) C4'-P energy: -97.614 bonds (distance) P-C4' energy: -96.617 flat angles C4'-P-C4' energy: -108.175 flat angles P-C4'-P energy: -75.871 tors. eta vs tors. theta energy: -143.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1658.291789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.291789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.291789 (E_RNA) where: Base-Base interactions energy: -1134.750 where: short stacking energy: -509.484 Base-Backbone interact. energy: 0.544 local terms energy: -524.085671 where: bonds (distance) C4'-P energy: -98.022 bonds (distance) P-C4' energy: -95.139 flat angles C4'-P-C4' energy: -111.204 flat angles P-C4'-P energy: -77.667 tors. eta vs tors. theta energy: -142.054 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: 10 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1595.290171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.290171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.290171 (E_RNA) where: Base-Base interactions energy: -1087.751 where: short stacking energy: -466.511 Base-Backbone interact. energy: -3.361 local terms energy: -504.178634 where: bonds (distance) C4'-P energy: -95.404 bonds (distance) P-C4' energy: -101.840 flat angles C4'-P-C4' energy: -102.956 flat angles P-C4'-P energy: -67.398 tors. eta vs tors. theta energy: -136.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1460.728824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.728824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.728824 (E_RNA) where: Base-Base interactions energy: -990.337 where: short stacking energy: -446.564 Base-Backbone interact. energy: 0.385 local terms energy: -470.776512 where: bonds (distance) C4'-P energy: -95.848 bonds (distance) P-C4' energy: -90.391 flat angles C4'-P-C4' energy: -99.634 flat angles P-C4'-P energy: -52.664 tors. eta vs tors. theta energy: -132.240 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: 7 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1327.542042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.542042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.542042 (E_RNA) where: Base-Base interactions energy: -887.384 where: short stacking energy: -355.989 Base-Backbone interact. energy: 0.167 local terms energy: -440.325146 where: bonds (distance) C4'-P energy: -85.411 bonds (distance) P-C4' energy: -93.677 flat angles C4'-P-C4' energy: -100.791 flat angles P-C4'-P energy: -64.206 tors. eta vs tors. theta energy: -96.240 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: 6, replica: 3 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1228.458309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.458309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.458309 (E_RNA) where: Base-Base interactions energy: -816.768 where: short stacking energy: -350.413 Base-Backbone interact. energy: 1.720 local terms energy: -413.410769 where: bonds (distance) C4'-P energy: -80.358 bonds (distance) P-C4' energy: -93.977 flat angles C4'-P-C4' energy: -90.057 flat angles P-C4'-P energy: -60.349 tors. eta vs tors. theta energy: -88.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1028.427607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.427607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.427607 (E_RNA) where: Base-Base interactions energy: -668.612 where: short stacking energy: -280.544 Base-Backbone interact. energy: -2.679 local terms energy: -357.136930 where: bonds (distance) C4'-P energy: -89.471 bonds (distance) P-C4' energy: -69.223 flat angles C4'-P-C4' energy: -82.518 flat angles P-C4'-P energy: -58.827 tors. eta vs tors. theta energy: -57.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -786.765362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.765362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.765362 (E_RNA) where: Base-Base interactions energy: -468.482 where: short stacking energy: -231.118 Base-Backbone interact. energy: 0.031 local terms energy: -318.313949 where: bonds (distance) C4'-P energy: -70.499 bonds (distance) P-C4' energy: -88.888 flat angles C4'-P-C4' energy: -73.926 flat angles P-C4'-P energy: -46.914 tors. eta vs tors. theta energy: -38.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -714.867820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.867820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.867820 (E_RNA) where: Base-Base interactions energy: -392.380 where: short stacking energy: -210.394 Base-Backbone interact. energy: 2.530 local terms energy: -325.017725 where: bonds (distance) C4'-P energy: -79.988 bonds (distance) P-C4' energy: -86.590 flat angles C4'-P-C4' energy: -87.226 flat angles P-C4'-P energy: -44.052 tors. eta vs tors. theta energy: -27.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -634.294683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.294683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.294683 (E_RNA) where: Base-Base interactions energy: -323.488 where: short stacking energy: -194.183 Base-Backbone interact. energy: -2.513 local terms energy: -308.293456 where: bonds (distance) C4'-P energy: -78.971 bonds (distance) P-C4' energy: -76.907 flat angles C4'-P-C4' energy: -83.091 flat angles P-C4'-P energy: -45.691 tors. eta vs tors. theta energy: -23.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1659.065871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.065871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.065871 (E_RNA) where: Base-Base interactions energy: -1142.758 where: short stacking energy: -507.950 Base-Backbone interact. energy: -2.776 local terms energy: -513.532046 where: bonds (distance) C4'-P energy: -91.695 bonds (distance) P-C4' energy: -95.750 flat angles C4'-P-C4' energy: -114.509 flat angles P-C4'-P energy: -70.417 tors. eta vs tors. theta energy: -141.161 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: 2 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1614.410635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.410635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.410635 (E_RNA) where: Base-Base interactions energy: -1083.245 where: short stacking energy: -487.829 Base-Backbone interact. energy: -0.892 local terms energy: -530.273521 where: bonds (distance) C4'-P energy: -93.092 bonds (distance) P-C4' energy: -102.355 flat angles C4'-P-C4' energy: -122.208 flat angles P-C4'-P energy: -68.003 tors. eta vs tors. theta energy: -144.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1615.513625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.513625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.513625 (E_RNA) where: Base-Base interactions energy: -1132.296 where: short stacking energy: -474.694 Base-Backbone interact. energy: -1.272 local terms energy: -481.945321 where: bonds (distance) C4'-P energy: -97.043 bonds (distance) P-C4' energy: -98.066 flat angles C4'-P-C4' energy: -96.315 flat angles P-C4'-P energy: -57.760 tors. eta vs tors. theta energy: -132.761 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: 6 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1428.713295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.713295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.713295 (E_RNA) where: Base-Base interactions energy: -967.567 where: short stacking energy: -428.000 Base-Backbone interact. energy: -1.604 local terms energy: -459.541577 where: bonds (distance) C4'-P energy: -93.019 bonds (distance) P-C4' energy: -67.319 flat angles C4'-P-C4' energy: -110.462 flat angles P-C4'-P energy: -66.954 tors. eta vs tors. theta energy: -121.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1319.227993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.227993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.227993 (E_RNA) where: Base-Base interactions energy: -907.151 where: short stacking energy: -389.449 Base-Backbone interact. energy: 4.935 local terms energy: -417.011920 where: bonds (distance) C4'-P energy: -74.881 bonds (distance) P-C4' energy: -95.650 flat angles C4'-P-C4' energy: -92.486 flat angles P-C4'-P energy: -45.992 tors. eta vs tors. theta energy: -108.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1269.547834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.547834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.547834 (E_RNA) where: Base-Base interactions energy: -833.917 where: short stacking energy: -372.037 Base-Backbone interact. energy: -4.329 local terms energy: -431.302410 where: bonds (distance) C4'-P energy: -92.090 bonds (distance) P-C4' energy: -88.255 flat angles C4'-P-C4' energy: -92.053 flat angles P-C4'-P energy: -63.689 tors. eta vs tors. theta energy: -95.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1069.218100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.218100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.218100 (E_RNA) where: Base-Base interactions energy: -684.317 where: short stacking energy: -312.807 Base-Backbone interact. energy: -0.234 local terms energy: -384.666439 where: bonds (distance) C4'-P energy: -76.278 bonds (distance) P-C4' energy: -92.663 flat angles C4'-P-C4' energy: -87.511 flat angles P-C4'-P energy: -54.613 tors. eta vs tors. theta energy: -73.601 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: 94 Temperature: 1.250000 Total energy: -758.478872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.478872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.478872 (E_RNA) where: Base-Base interactions energy: -451.085 where: short stacking energy: -230.525 Base-Backbone interact. energy: -1.181 local terms energy: -306.212171 where: bonds (distance) C4'-P energy: -77.021 bonds (distance) P-C4' energy: -76.175 flat angles C4'-P-C4' energy: -78.989 flat angles P-C4'-P energy: -37.982 tors. eta vs tors. theta energy: -36.045 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: 9, replica: 1 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -706.560395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.560395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.560395 (E_RNA) where: Base-Base interactions energy: -397.186 where: short stacking energy: -203.293 Base-Backbone interact. energy: -2.678 local terms energy: -306.696592 where: bonds (distance) C4'-P energy: -56.642 bonds (distance) P-C4' energy: -93.542 flat angles C4'-P-C4' energy: -84.786 flat angles P-C4'-P energy: -44.467 tors. eta vs tors. theta energy: -27.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -599.474193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.474193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.474193 (E_RNA) where: Base-Base interactions energy: -309.022 where: short stacking energy: -178.802 Base-Backbone interact. energy: -2.048 local terms energy: -288.403526 where: bonds (distance) C4'-P energy: -76.135 bonds (distance) P-C4' energy: -84.094 flat angles C4'-P-C4' energy: -75.719 flat angles P-C4'-P energy: -44.733 tors. eta vs tors. theta energy: -7.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1667.323415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.323415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.323415 (E_RNA) where: Base-Base interactions energy: -1144.689 where: short stacking energy: -516.978 Base-Backbone interact. energy: -2.297 local terms energy: -520.336748 where: bonds (distance) C4'-P energy: -103.043 bonds (distance) P-C4' energy: -93.635 flat angles C4'-P-C4' energy: -105.852 flat angles P-C4'-P energy: -66.514 tors. eta vs tors. theta energy: -151.293 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: 95 Temperature: 0.950000 Total energy: -1624.532048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.532048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.532048 (E_RNA) where: Base-Base interactions energy: -1110.284 where: short stacking energy: -485.461 Base-Backbone interact. energy: -2.585 local terms energy: -511.663467 where: bonds (distance) C4'-P energy: -91.036 bonds (distance) P-C4' energy: -91.183 flat angles C4'-P-C4' energy: -103.967 flat angles P-C4'-P energy: -79.828 tors. eta vs tors. theta energy: -145.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1592.060924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.060924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.060924 (E_RNA) where: Base-Base interactions energy: -1125.625 where: short stacking energy: -465.536 Base-Backbone interact. energy: -1.578 local terms energy: -464.857724 where: bonds (distance) C4'-P energy: -77.204 bonds (distance) P-C4' energy: -87.955 flat angles C4'-P-C4' energy: -103.330 flat angles P-C4'-P energy: -62.885 tors. eta vs tors. theta energy: -133.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -1445.954068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.954068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.954068 (E_RNA) where: Base-Base interactions energy: -966.475 where: short stacking energy: -438.501 Base-Backbone interact. energy: -0.066 local terms energy: -479.412401 where: bonds (distance) C4'-P energy: -87.978 bonds (distance) P-C4' energy: -82.607 flat angles C4'-P-C4' energy: -109.381 flat angles P-C4'-P energy: -75.681 tors. eta vs tors. theta energy: -123.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1265.204466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.204466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.204466 (E_RNA) where: Base-Base interactions energy: -834.864 where: short stacking energy: -369.418 Base-Backbone interact. energy: -1.550 local terms energy: -428.789971 where: bonds (distance) C4'-P energy: -90.713 bonds (distance) P-C4' energy: -84.856 flat angles C4'-P-C4' energy: -80.571 flat angles P-C4'-P energy: -68.891 tors. eta vs tors. theta energy: -103.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1260.377040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.377040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.377040 (E_RNA) where: Base-Base interactions energy: -869.361 where: short stacking energy: -350.256 Base-Backbone interact. energy: -3.890 local terms energy: -387.126032 where: bonds (distance) C4'-P energy: -72.967 bonds (distance) P-C4' energy: -76.733 flat angles C4'-P-C4' energy: -90.828 flat angles P-C4'-P energy: -68.617 tors. eta vs tors. theta energy: -77.982 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: 4 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1046.376762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.376762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.376762 (E_RNA) where: Base-Base interactions energy: -665.689 where: short stacking energy: -311.316 Base-Backbone interact. energy: -1.255 local terms energy: -379.432700 where: bonds (distance) C4'-P energy: -64.748 bonds (distance) P-C4' energy: -88.994 flat angles C4'-P-C4' energy: -86.151 flat angles P-C4'-P energy: -58.415 tors. eta vs tors. theta energy: -81.124 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: 8, replica: 1 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -695.656113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.656113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.656113 (E_RNA) where: Base-Base interactions energy: -415.670 where: short stacking energy: -206.227 Base-Backbone interact. energy: -1.374 local terms energy: -278.611759 where: bonds (distance) C4'-P energy: -74.807 bonds (distance) P-C4' energy: -81.107 flat angles C4'-P-C4' energy: -78.068 flat angles P-C4'-P energy: -43.218 tors. eta vs tors. theta energy: -1.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -751.091091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.091091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.091091 (E_RNA) where: Base-Base interactions energy: -434.991 where: short stacking energy: -199.771 Base-Backbone interact. energy: 0.104 local terms energy: -316.204343 where: bonds (distance) C4'-P energy: -71.588 bonds (distance) P-C4' energy: -89.772 flat angles C4'-P-C4' energy: -74.520 flat angles P-C4'-P energy: -49.954 tors. eta vs tors. theta energy: -30.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -598.423545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.423545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.423545 (E_RNA) where: Base-Base interactions energy: -344.754 where: short stacking energy: -175.715 Base-Backbone interact. energy: -1.190 local terms energy: -252.479606 where: bonds (distance) C4'-P energy: -72.428 bonds (distance) P-C4' energy: -76.150 flat angles C4'-P-C4' energy: -45.553 flat angles P-C4'-P energy: -43.858 tors. eta vs tors. theta energy: -14.490 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: 8 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1664.677202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.677202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.677202 (E_RNA) where: Base-Base interactions energy: -1137.969 where: short stacking energy: -487.693 Base-Backbone interact. energy: -2.569 local terms energy: -524.139712 where: bonds (distance) C4'-P energy: -92.847 bonds (distance) P-C4' energy: -96.201 flat angles C4'-P-C4' energy: -121.803 flat angles P-C4'-P energy: -69.937 tors. eta vs tors. theta energy: -143.351 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: 96 Temperature: 0.950000 Total energy: -1630.819817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.819817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.819817 (E_RNA) where: Base-Base interactions energy: -1108.004 where: short stacking energy: -501.966 Base-Backbone interact. energy: -1.982 local terms energy: -520.833303 where: bonds (distance) C4'-P energy: -88.059 bonds (distance) P-C4' energy: -101.833 flat angles C4'-P-C4' energy: -108.152 flat angles P-C4'-P energy: -74.753 tors. eta vs tors. theta energy: -148.036 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: 10 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1600.760725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.760725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.760725 (E_RNA) where: Base-Base interactions energy: -1117.084 where: short stacking energy: -465.623 Base-Backbone interact. energy: -1.896 local terms energy: -481.781219 where: bonds (distance) C4'-P energy: -84.405 bonds (distance) P-C4' energy: -93.719 flat angles C4'-P-C4' energy: -103.053 flat angles P-C4'-P energy: -71.813 tors. eta vs tors. theta energy: -128.792 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: 4, replica: 6 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1453.866526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.866526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.866526 (E_RNA) where: Base-Base interactions energy: -992.323 where: short stacking energy: -440.076 Base-Backbone interact. energy: -0.798 local terms energy: -460.745224 where: bonds (distance) C4'-P energy: -88.920 bonds (distance) P-C4' energy: -79.257 flat angles C4'-P-C4' energy: -110.794 flat angles P-C4'-P energy: -64.133 tors. eta vs tors. theta energy: -117.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1313.278616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.278616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.278616 (E_RNA) where: Base-Base interactions energy: -877.769 where: short stacking energy: -377.859 Base-Backbone interact. energy: -2.173 local terms energy: -433.336836 where: bonds (distance) C4'-P energy: -91.541 bonds (distance) P-C4' energy: -93.852 flat angles C4'-P-C4' energy: -95.379 flat angles P-C4'-P energy: -45.526 tors. eta vs tors. theta energy: -107.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1259.316886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.316886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.316886 (E_RNA) where: Base-Base interactions energy: -833.316 where: short stacking energy: -373.024 Base-Backbone interact. energy: -0.782 local terms energy: -425.219160 where: bonds (distance) C4'-P energy: -85.781 bonds (distance) P-C4' energy: -84.464 flat angles C4'-P-C4' energy: -97.149 flat angles P-C4'-P energy: -58.323 tors. eta vs tors. theta energy: -99.503 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: 7, replica: 4 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -985.969627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.969627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.969627 (E_RNA) where: Base-Base interactions energy: -630.069 where: short stacking energy: -285.142 Base-Backbone interact. energy: -0.571 local terms energy: -355.329617 where: bonds (distance) C4'-P energy: -83.493 bonds (distance) P-C4' energy: -74.531 flat angles C4'-P-C4' energy: -77.550 flat angles P-C4'-P energy: -56.869 tors. eta vs tors. theta energy: -62.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -746.207336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.207336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.207336 (E_RNA) where: Base-Base interactions energy: -423.608 where: short stacking energy: -211.407 Base-Backbone interact. energy: 0.155 local terms energy: -322.754487 where: bonds (distance) C4'-P energy: -81.899 bonds (distance) P-C4' energy: -81.889 flat angles C4'-P-C4' energy: -71.375 flat angles P-C4'-P energy: -53.783 tors. eta vs tors. theta energy: -33.808 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: 5 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -757.126017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.126017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.126017 (E_RNA) where: Base-Base interactions energy: -430.206 where: short stacking energy: -221.785 Base-Backbone interact. energy: 3.532 local terms energy: -330.452184 where: bonds (distance) C4'-P energy: -85.309 bonds (distance) P-C4' energy: -80.079 flat angles C4'-P-C4' energy: -90.273 flat angles P-C4'-P energy: -46.119 tors. eta vs tors. theta energy: -28.673 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: 9 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -542.318782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.318782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.318782 (E_RNA) where: Base-Base interactions energy: -267.089 where: short stacking energy: -148.862 Base-Backbone interact. energy: 0.069 local terms energy: -275.299651 where: bonds (distance) C4'-P energy: -81.359 bonds (distance) P-C4' energy: -88.303 flat angles C4'-P-C4' energy: -71.753 flat angles P-C4'-P energy: -41.852 tors. eta vs tors. theta energy: 7.967 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: 97 Temperature: 0.900000 Total energy: -1668.288446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.288446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.288446 (E_RNA) where: Base-Base interactions energy: -1147.988 where: short stacking energy: -511.683 Base-Backbone interact. energy: 0.813 local terms energy: -521.113164 where: bonds (distance) C4'-P energy: -97.172 bonds (distance) P-C4' energy: -99.051 flat angles C4'-P-C4' energy: -109.264 flat angles P-C4'-P energy: -69.069 tors. eta vs tors. theta energy: -146.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1634.264650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.264650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.264650 (E_RNA) where: Base-Base interactions energy: -1131.197 where: short stacking energy: -468.852 Base-Backbone interact. energy: -1.694 local terms energy: -501.372916 where: bonds (distance) C4'-P energy: -102.435 bonds (distance) P-C4' energy: -91.378 flat angles C4'-P-C4' energy: -99.066 flat angles P-C4'-P energy: -69.978 tors. eta vs tors. theta energy: -138.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1583.336899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.336899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.336899 (E_RNA) where: Base-Base interactions energy: -1088.047 where: short stacking energy: -481.647 Base-Backbone interact. energy: -0.833 local terms energy: -494.456333 where: bonds (distance) C4'-P energy: -98.329 bonds (distance) P-C4' energy: -86.700 flat angles C4'-P-C4' energy: -96.577 flat angles P-C4'-P energy: -75.925 tors. eta vs tors. theta energy: -136.925 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: 6 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1460.282960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.282960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.282960 (E_RNA) where: Base-Base interactions energy: -970.374 where: short stacking energy: -429.794 Base-Backbone interact. energy: -1.226 local terms energy: -488.682147 where: bonds (distance) C4'-P energy: -99.791 bonds (distance) P-C4' energy: -95.151 flat angles C4'-P-C4' energy: -102.170 flat angles P-C4'-P energy: -75.817 tors. eta vs tors. theta energy: -115.753 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: 5, replica: 7 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1302.961362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.961362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.961362 (E_RNA) where: Base-Base interactions energy: -861.801 where: short stacking energy: -396.249 Base-Backbone interact. energy: -3.312 local terms energy: -437.848157 where: bonds (distance) C4'-P energy: -83.771 bonds (distance) P-C4' energy: -88.479 flat angles C4'-P-C4' energy: -98.132 flat angles P-C4'-P energy: -62.074 tors. eta vs tors. theta energy: -105.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1247.098143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.098143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.098143 (E_RNA) where: Base-Base interactions energy: -829.828 where: short stacking energy: -358.111 Base-Backbone interact. energy: -0.752 local terms energy: -416.518396 where: bonds (distance) C4'-P energy: -87.237 bonds (distance) P-C4' energy: -86.758 flat angles C4'-P-C4' energy: -78.903 flat angles P-C4'-P energy: -65.668 tors. eta vs tors. theta energy: -97.953 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: 4 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1041.463878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.463878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.463878 (E_RNA) where: Base-Base interactions energy: -694.268 where: short stacking energy: -305.885 Base-Backbone interact. energy: -1.731 local terms energy: -345.464841 where: bonds (distance) C4'-P energy: -74.969 bonds (distance) P-C4' energy: -73.681 flat angles C4'-P-C4' energy: -87.798 flat angles P-C4'-P energy: -50.916 tors. eta vs tors. theta energy: -58.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -708.308221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.308221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.308221 (E_RNA) where: Base-Base interactions energy: -390.744 where: short stacking energy: -204.843 Base-Backbone interact. energy: -1.939 local terms energy: -315.625813 where: bonds (distance) C4'-P energy: -79.479 bonds (distance) P-C4' energy: -76.880 flat angles C4'-P-C4' energy: -74.561 flat angles P-C4'-P energy: -60.646 tors. eta vs tors. theta energy: -24.060 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: 1 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -688.818801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.818801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.818801 (E_RNA) where: Base-Base interactions energy: -386.540 where: short stacking energy: -204.797 Base-Backbone interact. energy: -1.185 local terms energy: -301.093484 where: bonds (distance) C4'-P energy: -76.342 bonds (distance) P-C4' energy: -73.503 flat angles C4'-P-C4' energy: -80.006 flat angles P-C4'-P energy: -44.785 tors. eta vs tors. theta energy: -26.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -552.847264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.847264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.847264 (E_RNA) where: Base-Base interactions energy: -286.845 where: short stacking energy: -160.827 Base-Backbone interact. energy: 1.733 local terms energy: -267.735411 where: bonds (distance) C4'-P energy: -77.070 bonds (distance) P-C4' energy: -74.265 flat angles C4'-P-C4' energy: -74.863 flat angles P-C4'-P energy: -38.101 tors. eta vs tors. theta energy: -3.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1685.284036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.284036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.284036 (E_RNA) where: Base-Base interactions energy: -1160.432 where: short stacking energy: -509.828 Base-Backbone interact. energy: -4.229 local terms energy: -520.623670 where: bonds (distance) C4'-P energy: -96.780 bonds (distance) P-C4' energy: -90.826 flat angles C4'-P-C4' energy: -110.152 flat angles P-C4'-P energy: -76.842 tors. eta vs tors. theta energy: -146.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1644.552681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.552681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.552681 (E_RNA) where: Base-Base interactions energy: -1130.233 where: short stacking energy: -480.435 Base-Backbone interact. energy: -1.365 local terms energy: -512.954697 where: bonds (distance) C4'-P energy: -89.175 bonds (distance) P-C4' energy: -102.338 flat angles C4'-P-C4' energy: -105.597 flat angles P-C4'-P energy: -75.372 tors. eta vs tors. theta energy: -140.473 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: 2 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1559.488244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.488244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.488244 (E_RNA) where: Base-Base interactions energy: -1064.976 where: short stacking energy: -481.528 Base-Backbone interact. energy: -0.570 local terms energy: -493.942248 where: bonds (distance) C4'-P energy: -91.509 bonds (distance) P-C4' energy: -96.994 flat angles C4'-P-C4' energy: -101.415 flat angles P-C4'-P energy: -70.618 tors. eta vs tors. theta energy: -133.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1464.056738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.056738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.056738 (E_RNA) where: Base-Base interactions energy: -998.970 where: short stacking energy: -436.407 Base-Backbone interact. energy: -1.671 local terms energy: -463.415980 where: bonds (distance) C4'-P energy: -94.134 bonds (distance) P-C4' energy: -85.430 flat angles C4'-P-C4' energy: -109.622 flat angles P-C4'-P energy: -54.000 tors. eta vs tors. theta energy: -120.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1313.319676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.319676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.319676 (E_RNA) where: Base-Base interactions energy: -862.983 where: short stacking energy: -380.158 Base-Backbone interact. energy: -0.469 local terms energy: -449.867883 where: bonds (distance) C4'-P energy: -90.150 bonds (distance) P-C4' energy: -89.432 flat angles C4'-P-C4' energy: -101.704 flat angles P-C4'-P energy: -60.146 tors. eta vs tors. theta energy: -108.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1262.876304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.876304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.876304 (E_RNA) where: Base-Base interactions energy: -849.944 where: short stacking energy: -354.746 Base-Backbone interact. energy: -3.142 local terms energy: -409.790298 where: bonds (distance) C4'-P energy: -72.976 bonds (distance) P-C4' energy: -70.660 flat angles C4'-P-C4' energy: -102.512 flat angles P-C4'-P energy: -63.137 tors. eta vs tors. theta energy: -100.505 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: 4 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1053.999056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.999056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.999056 (E_RNA) where: Base-Base interactions energy: -684.679 where: short stacking energy: -315.273 Base-Backbone interact. energy: 0.377 local terms energy: -369.696295 where: bonds (distance) C4'-P energy: -82.194 bonds (distance) P-C4' energy: -89.291 flat angles C4'-P-C4' energy: -97.535 flat angles P-C4'-P energy: -49.062 tors. eta vs tors. theta energy: -51.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -681.489818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.489818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.489818 (E_RNA) where: Base-Base interactions energy: -384.029 where: short stacking energy: -196.794 Base-Backbone interact. energy: 3.041 local terms energy: -300.501431 where: bonds (distance) C4'-P energy: -84.978 bonds (distance) P-C4' energy: -91.917 flat angles C4'-P-C4' energy: -70.748 flat angles P-C4'-P energy: -42.046 tors. eta vs tors. theta energy: -10.812 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: 1 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -741.502246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.502246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.502246 (E_RNA) where: Base-Base interactions energy: -448.044 where: short stacking energy: -256.126 Base-Backbone interact. energy: 1.674 local terms energy: -295.132317 where: bonds (distance) C4'-P energy: -82.899 bonds (distance) P-C4' energy: -58.961 flat angles C4'-P-C4' energy: -66.815 flat angles P-C4'-P energy: -28.154 tors. eta vs tors. theta energy: -58.303 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: 9 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -573.963470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.963470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.963470 (E_RNA) where: Base-Base interactions energy: -314.479 where: short stacking energy: -169.979 Base-Backbone interact. energy: 0.176 local terms energy: -259.660776 where: bonds (distance) C4'-P energy: -60.595 bonds (distance) P-C4' energy: -79.032 flat angles C4'-P-C4' energy: -76.948 flat angles P-C4'-P energy: -37.770 tors. eta vs tors. theta energy: -5.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1665.299239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.299239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.299239 (E_RNA) where: Base-Base interactions energy: -1158.467 where: short stacking energy: -503.824 Base-Backbone interact. energy: -1.832 local terms energy: -505.000756 where: bonds (distance) C4'-P energy: -90.823 bonds (distance) P-C4' energy: -88.615 flat angles C4'-P-C4' energy: -110.387 flat angles P-C4'-P energy: -78.990 tors. eta vs tors. theta energy: -136.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1607.577923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.577923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.577923 (E_RNA) where: Base-Base interactions energy: -1101.416 where: short stacking energy: -462.872 Base-Backbone interact. energy: -2.318 local terms energy: -503.844271 where: bonds (distance) C4'-P energy: -87.541 bonds (distance) P-C4' energy: -97.038 flat angles C4'-P-C4' energy: -98.898 flat angles P-C4'-P energy: -82.782 tors. eta vs tors. theta energy: -137.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1571.923515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.923515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.923515 (E_RNA) where: Base-Base interactions energy: -1081.068 where: short stacking energy: -468.712 Base-Backbone interact. energy: -2.581 local terms energy: -488.273893 where: bonds (distance) C4'-P energy: -83.560 bonds (distance) P-C4' energy: -99.110 flat angles C4'-P-C4' energy: -92.853 flat angles P-C4'-P energy: -75.670 tors. eta vs tors. theta energy: -137.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1464.292331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.292331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.292331 (E_RNA) where: Base-Base interactions energy: -982.328 where: short stacking energy: -435.745 Base-Backbone interact. energy: -1.282 local terms energy: -480.682635 where: bonds (distance) C4'-P energy: -94.651 bonds (distance) P-C4' energy: -93.710 flat angles C4'-P-C4' energy: -104.377 flat angles P-C4'-P energy: -71.088 tors. eta vs tors. theta energy: -116.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1301.688737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.688737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.688737 (E_RNA) where: Base-Base interactions energy: -873.142 where: short stacking energy: -390.122 Base-Backbone interact. energy: 3.032 local terms energy: -431.579323 where: bonds (distance) C4'-P energy: -86.392 bonds (distance) P-C4' energy: -96.772 flat angles C4'-P-C4' energy: -98.408 flat angles P-C4'-P energy: -50.020 tors. eta vs tors. theta energy: -99.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1250.551070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.551070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.551070 (E_RNA) where: Base-Base interactions energy: -861.845 where: short stacking energy: -373.300 Base-Backbone interact. energy: -2.964 local terms energy: -385.742331 where: bonds (distance) C4'-P energy: -76.827 bonds (distance) P-C4' energy: -78.853 flat angles C4'-P-C4' energy: -82.213 flat angles P-C4'-P energy: -52.804 tors. eta vs tors. theta energy: -95.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1031.203504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.203504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.203504 (E_RNA) where: Base-Base interactions energy: -655.892 where: short stacking energy: -312.625 Base-Backbone interact. energy: -2.803 local terms energy: -372.508402 where: bonds (distance) C4'-P energy: -84.586 bonds (distance) P-C4' energy: -77.861 flat angles C4'-P-C4' energy: -93.422 flat angles P-C4'-P energy: -54.151 tors. eta vs tors. theta energy: -62.488 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: 8, replica: 1 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -780.464819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.464819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.464819 (E_RNA) where: Base-Base interactions energy: -459.026 where: short stacking energy: -227.741 Base-Backbone interact. energy: -2.421 local terms energy: -319.017699 where: bonds (distance) C4'-P energy: -78.967 bonds (distance) P-C4' energy: -93.572 flat angles C4'-P-C4' energy: -77.567 flat angles P-C4'-P energy: -34.212 tors. eta vs tors. theta energy: -34.699 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: 5 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -719.912998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.912998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.912998 (E_RNA) where: Base-Base interactions energy: -423.442 where: short stacking energy: -192.366 Base-Backbone interact. energy: 0.116 local terms energy: -296.586996 where: bonds (distance) C4'-P energy: -71.401 bonds (distance) P-C4' energy: -84.207 flat angles C4'-P-C4' energy: -80.521 flat angles P-C4'-P energy: -40.074 tors. eta vs tors. theta energy: -20.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -554.374441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.374441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.374441 (E_RNA) where: Base-Base interactions energy: -291.986 where: short stacking energy: -133.171 Base-Backbone interact. energy: 1.041 local terms energy: -263.430077 where: bonds (distance) C4'-P energy: -84.996 bonds (distance) P-C4' energy: -83.246 flat angles C4'-P-C4' energy: -78.713 flat angles P-C4'-P energy: -22.394 tors. eta vs tors. theta energy: 5.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1659.798498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.798498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.798498 (E_RNA) where: Base-Base interactions energy: -1139.688 where: short stacking energy: -492.876 Base-Backbone interact. energy: -2.922 local terms energy: -517.188822 where: bonds (distance) C4'-P energy: -97.422 bonds (distance) P-C4' energy: -100.560 flat angles C4'-P-C4' energy: -109.510 flat angles P-C4'-P energy: -61.869 tors. eta vs tors. theta energy: -147.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1620.491341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.491341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.491341 (E_RNA) where: Base-Base interactions energy: -1111.193 where: short stacking energy: -474.593 Base-Backbone interact. energy: -1.645 local terms energy: -507.652650 where: bonds (distance) C4'-P energy: -102.012 bonds (distance) P-C4' energy: -101.722 flat angles C4'-P-C4' energy: -94.574 flat angles P-C4'-P energy: -75.612 tors. eta vs tors. theta energy: -133.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1567.035865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.035865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.035865 (E_RNA) where: Base-Base interactions energy: -1068.389 where: short stacking energy: -468.771 Base-Backbone interact. energy: -1.161 local terms energy: -497.486256 where: bonds (distance) C4'-P energy: -93.986 bonds (distance) P-C4' energy: -85.854 flat angles C4'-P-C4' energy: -104.640 flat angles P-C4'-P energy: -71.390 tors. eta vs tors. theta energy: -141.617 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: 6 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1483.703625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.703625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.703625 (E_RNA) where: Base-Base interactions energy: -1012.063 where: short stacking energy: -441.516 Base-Backbone interact. energy: -2.318 local terms energy: -469.322882 where: bonds (distance) C4'-P energy: -86.823 bonds (distance) P-C4' energy: -93.993 flat angles C4'-P-C4' energy: -105.727 flat angles P-C4'-P energy: -59.316 tors. eta vs tors. theta energy: -123.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1300.428267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.428267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.428267 (E_RNA) where: Base-Base interactions energy: -885.257 where: short stacking energy: -385.040 Base-Backbone interact. energy: 5.837 local terms energy: -421.007790 where: bonds (distance) C4'-P energy: -81.290 bonds (distance) P-C4' energy: -76.826 flat angles C4'-P-C4' energy: -102.032 flat angles P-C4'-P energy: -55.567 tors. eta vs tors. theta energy: -105.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1195.281484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.281484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.281484 (E_RNA) where: Base-Base interactions energy: -776.840 where: short stacking energy: -353.512 Base-Backbone interact. energy: 0.121 local terms energy: -418.561732 where: bonds (distance) C4'-P energy: -94.169 bonds (distance) P-C4' energy: -77.680 flat angles C4'-P-C4' energy: -104.319 flat angles P-C4'-P energy: -53.236 tors. eta vs tors. theta energy: -89.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -959.886446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.886446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.886446 (E_RNA) where: Base-Base interactions energy: -603.457 where: short stacking energy: -276.222 Base-Backbone interact. energy: -3.839 local terms energy: -352.590483 where: bonds (distance) C4'-P energy: -87.757 bonds (distance) P-C4' energy: -81.763 flat angles C4'-P-C4' energy: -84.510 flat angles P-C4'-P energy: -50.770 tors. eta vs tors. theta energy: -47.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -785.087854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.087854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.087854 (E_RNA) where: Base-Base interactions energy: -459.909 where: short stacking energy: -231.984 Base-Backbone interact. energy: -0.899 local terms energy: -324.279341 where: bonds (distance) C4'-P energy: -78.802 bonds (distance) P-C4' energy: -83.345 flat angles C4'-P-C4' energy: -84.495 flat angles P-C4'-P energy: -26.572 tors. eta vs tors. theta energy: -51.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -687.456551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.456551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.456551 (E_RNA) where: Base-Base interactions energy: -407.224 where: short stacking energy: -204.203 Base-Backbone interact. energy: 1.077 local terms energy: -281.309950 where: bonds (distance) C4'-P energy: -76.718 bonds (distance) P-C4' energy: -87.994 flat angles C4'-P-C4' energy: -57.246 flat angles P-C4'-P energy: -44.715 tors. eta vs tors. theta energy: -14.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -545.388575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.388575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.388575 (E_RNA) where: Base-Base interactions energy: -273.453 where: short stacking energy: -170.903 Base-Backbone interact. energy: 6.431 local terms energy: -278.366869 where: bonds (distance) C4'-P energy: -75.782 bonds (distance) P-C4' energy: -80.562 flat angles C4'-P-C4' energy: -71.754 flat angles P-C4'-P energy: -35.674 tors. eta vs tors. theta energy: -14.596 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: 8 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1640.411108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.411108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.411108 (E_RNA) where: Base-Base interactions energy: -1133.967 where: short stacking energy: -499.975 Base-Backbone interact. energy: -1.617 local terms energy: -504.827228 where: bonds (distance) C4'-P energy: -95.450 bonds (distance) P-C4' energy: -96.237 flat angles C4'-P-C4' energy: -104.975 flat angles P-C4'-P energy: -64.061 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: 2, replica: 10 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1622.575786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.575786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.575786 (E_RNA) where: Base-Base interactions energy: -1113.730 where: short stacking energy: -490.510 Base-Backbone interact. energy: -1.627 local terms energy: -507.218737 where: bonds (distance) C4'-P energy: -91.401 bonds (distance) P-C4' energy: -93.557 flat angles C4'-P-C4' energy: -108.696 flat angles P-C4'-P energy: -77.396 tors. eta vs tors. theta energy: -136.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1582.071031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.071031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.071031 (E_RNA) where: Base-Base interactions energy: -1084.614 where: short stacking energy: -461.198 Base-Backbone interact. energy: -2.803 local terms energy: -494.654165 where: bonds (distance) C4'-P energy: -98.772 bonds (distance) P-C4' energy: -77.176 flat angles C4'-P-C4' energy: -108.564 flat angles P-C4'-P energy: -74.791 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: 4, replica: 6 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1460.108597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.108597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.108597 (E_RNA) where: Base-Base interactions energy: -1021.890 where: short stacking energy: -435.236 Base-Backbone interact. energy: 8.640 local terms energy: -446.858372 where: bonds (distance) C4'-P energy: -83.398 bonds (distance) P-C4' energy: -86.094 flat angles C4'-P-C4' energy: -98.256 flat angles P-C4'-P energy: -67.840 tors. eta vs tors. theta energy: -111.271 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: 3 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1251.121753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.121753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.121753 (E_RNA) where: Base-Base interactions energy: -845.942 where: short stacking energy: -381.945 Base-Backbone interact. energy: 2.674 local terms energy: -407.853785 where: bonds (distance) C4'-P energy: -71.958 bonds (distance) P-C4' energy: -95.174 flat angles C4'-P-C4' energy: -97.265 flat angles P-C4'-P energy: -50.350 tors. eta vs tors. theta energy: -93.108 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: 7 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1163.228493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.228493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.228493 (E_RNA) where: Base-Base interactions energy: -780.179 where: short stacking energy: -338.939 Base-Backbone interact. energy: 0.664 local terms energy: -383.713826 where: bonds (distance) C4'-P energy: -79.636 bonds (distance) P-C4' energy: -84.145 flat angles C4'-P-C4' energy: -77.291 flat angles P-C4'-P energy: -51.516 tors. eta vs tors. theta energy: -91.126 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: 4 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -993.716385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.716385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.716385 (E_RNA) where: Base-Base interactions energy: -647.706 where: short stacking energy: -293.379 Base-Backbone interact. energy: -1.588 local terms energy: -344.422749 where: bonds (distance) C4'-P energy: -77.492 bonds (distance) P-C4' energy: -78.165 flat angles C4'-P-C4' energy: -72.513 flat angles P-C4'-P energy: -52.050 tors. eta vs tors. theta energy: -64.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -785.503533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.503533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.503533 (E_RNA) where: Base-Base interactions energy: -492.612 where: short stacking energy: -239.373 Base-Backbone interact. energy: -1.865 local terms energy: -291.026471 where: bonds (distance) C4'-P energy: -73.513 bonds (distance) P-C4' energy: -78.833 flat angles C4'-P-C4' energy: -55.321 flat angles P-C4'-P energy: -51.236 tors. eta vs tors. theta energy: -32.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -640.820363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.820363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.820363 (E_RNA) where: Base-Base interactions energy: -347.032 where: short stacking energy: -189.009 Base-Backbone interact. energy: 4.847 local terms energy: -298.635275 where: bonds (distance) C4'-P energy: -66.441 bonds (distance) P-C4' energy: -94.948 flat angles C4'-P-C4' energy: -57.757 flat angles P-C4'-P energy: -58.124 tors. eta vs tors. theta energy: -21.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -588.499049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.499049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.499049 (E_RNA) where: Base-Base interactions energy: -298.745 where: short stacking energy: -166.623 Base-Backbone interact. energy: 4.851 local terms energy: -294.605410 where: bonds (distance) C4'-P energy: -70.121 bonds (distance) P-C4' energy: -87.213 flat angles C4'-P-C4' energy: -77.082 flat angles P-C4'-P energy: -41.244 tors. eta vs tors. theta energy: -18.945 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: 8 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1656.642187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.642187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.642187 (E_RNA) where: Base-Base interactions energy: -1128.708 where: short stacking energy: -492.637 Base-Backbone interact. energy: -2.813 local terms energy: -525.121677 where: bonds (distance) C4'-P energy: -94.446 bonds (distance) P-C4' energy: -105.100 flat angles C4'-P-C4' energy: -104.678 flat angles P-C4'-P energy: -74.745 tors. eta vs tors. theta energy: -146.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1645.334416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.334416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.334416 (E_RNA) where: Base-Base interactions energy: -1121.630 where: short stacking energy: -483.531 Base-Backbone interact. energy: -2.585 local terms energy: -521.119448 where: bonds (distance) C4'-P energy: -93.778 bonds (distance) P-C4' energy: -102.499 flat angles C4'-P-C4' energy: -102.747 flat angles P-C4'-P energy: -78.902 tors. eta vs tors. theta energy: -143.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1575.783061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.783061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.783061 (E_RNA) where: Base-Base interactions energy: -1081.993 where: short stacking energy: -480.972 Base-Backbone interact. energy: -2.892 local terms energy: -490.898179 where: bonds (distance) C4'-P energy: -82.957 bonds (distance) P-C4' energy: -97.022 flat angles C4'-P-C4' energy: -94.637 flat angles P-C4'-P energy: -65.533 tors. eta vs tors. theta energy: -150.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1474.145186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.145186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.145186 (E_RNA) where: Base-Base interactions energy: -1001.819 where: short stacking energy: -440.339 Base-Backbone interact. energy: -2.303 local terms energy: -470.023872 where: bonds (distance) C4'-P energy: -73.621 bonds (distance) P-C4' energy: -104.404 flat angles C4'-P-C4' energy: -100.798 flat angles P-C4'-P energy: -67.677 tors. eta vs tors. theta energy: -123.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1321.677054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.677054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.677054 (E_RNA) where: Base-Base interactions energy: -908.588 where: short stacking energy: -372.058 Base-Backbone interact. energy: 0.439 local terms energy: -413.527686 where: bonds (distance) C4'-P energy: -87.826 bonds (distance) P-C4' energy: -77.219 flat angles C4'-P-C4' energy: -78.308 flat angles P-C4'-P energy: -63.918 tors. eta vs tors. theta energy: -106.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1136.995379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.995379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.995379 (E_RNA) where: Base-Base interactions energy: -751.259 where: short stacking energy: -328.539 Base-Backbone interact. energy: -5.700 local terms energy: -380.035863 where: bonds (distance) C4'-P energy: -82.618 bonds (distance) P-C4' energy: -68.475 flat angles C4'-P-C4' energy: -95.961 flat angles P-C4'-P energy: -54.551 tors. eta vs tors. theta energy: -78.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1029.158973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.158973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.158973 (E_RNA) where: Base-Base interactions energy: -645.319 where: short stacking energy: -309.548 Base-Backbone interact. energy: -0.763 local terms energy: -383.077292 where: bonds (distance) C4'-P energy: -92.170 bonds (distance) P-C4' energy: -87.346 flat angles C4'-P-C4' energy: -90.309 flat angles P-C4'-P energy: -54.790 tors. eta vs tors. theta energy: -58.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -788.305199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.305199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.305199 (E_RNA) where: Base-Base interactions energy: -482.172 where: short stacking energy: -217.394 Base-Backbone interact. energy: -1.292 local terms energy: -304.840932 where: bonds (distance) C4'-P energy: -73.829 bonds (distance) P-C4' energy: -88.813 flat angles C4'-P-C4' energy: -76.482 flat angles P-C4'-P energy: -30.975 tors. eta vs tors. theta energy: -34.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -607.871780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.871780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.871780 (E_RNA) where: Base-Base interactions energy: -319.522 where: short stacking energy: -184.043 Base-Backbone interact. energy: -1.045 local terms energy: -287.304621 where: bonds (distance) C4'-P energy: -85.738 bonds (distance) P-C4' energy: -83.374 flat angles C4'-P-C4' energy: -75.679 flat angles P-C4'-P energy: -35.229 tors. eta vs tors. theta energy: -7.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -610.691359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.691359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.691359 (E_RNA) where: Base-Base interactions energy: -317.302 where: short stacking energy: -169.440 Base-Backbone interact. energy: 4.335 local terms energy: -297.724581 where: bonds (distance) C4'-P energy: -91.411 bonds (distance) P-C4' energy: -80.541 flat angles C4'-P-C4' energy: -77.910 flat angles P-C4'-P energy: -46.422 tors. eta vs tors. theta energy: -1.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1657.684334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.684334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.684334 (E_RNA) where: Base-Base interactions energy: -1150.430 where: short stacking energy: -506.246 Base-Backbone interact. energy: -1.135 local terms energy: -506.119047 where: bonds (distance) C4'-P energy: -81.464 bonds (distance) P-C4' energy: -88.172 flat angles C4'-P-C4' energy: -114.427 flat angles P-C4'-P energy: -81.906 tors. eta vs tors. theta energy: -140.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1606.921483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.921483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.921483 (E_RNA) where: Base-Base interactions energy: -1094.690 where: short stacking energy: -501.837 Base-Backbone interact. energy: -2.491 local terms energy: -509.740994 where: bonds (distance) C4'-P energy: -93.432 bonds (distance) P-C4' energy: -98.667 flat angles C4'-P-C4' energy: -96.446 flat angles P-C4'-P energy: -73.103 tors. eta vs tors. theta energy: -148.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1606.329399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.329399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.329399 (E_RNA) where: Base-Base interactions energy: -1126.639 where: short stacking energy: -467.029 Base-Backbone interact. energy: -2.241 local terms energy: -477.448990 where: bonds (distance) C4'-P energy: -85.522 bonds (distance) P-C4' energy: -84.414 flat angles C4'-P-C4' energy: -94.549 flat angles P-C4'-P energy: -74.122 tors. eta vs tors. theta energy: -138.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1517.645115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.645115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.645115 (E_RNA) where: Base-Base interactions energy: -1048.522 where: short stacking energy: -451.496 Base-Backbone interact. energy: -2.801 local terms energy: -466.323089 where: bonds (distance) C4'-P energy: -82.333 bonds (distance) P-C4' energy: -96.267 flat angles C4'-P-C4' energy: -100.664 flat angles P-C4'-P energy: -63.884 tors. eta vs tors. theta energy: -123.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1305.543876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.543876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.543876 (E_RNA) where: Base-Base interactions energy: -879.829 where: short stacking energy: -362.311 Base-Backbone interact. energy: -2.801 local terms energy: -422.913487 where: bonds (distance) C4'-P energy: -81.292 bonds (distance) P-C4' energy: -88.430 flat angles C4'-P-C4' energy: -96.298 flat angles P-C4'-P energy: -57.736 tors. eta vs tors. theta energy: -99.157 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: 7 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1139.534575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.534575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.534575 (E_RNA) where: Base-Base interactions energy: -764.951 where: short stacking energy: -315.678 Base-Backbone interact. energy: -2.136 local terms energy: -372.446747 where: bonds (distance) C4'-P energy: -66.791 bonds (distance) P-C4' energy: -85.783 flat angles C4'-P-C4' energy: -93.902 flat angles P-C4'-P energy: -60.634 tors. eta vs tors. theta energy: -65.338 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: 4 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1069.051227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.051227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.051227 (E_RNA) where: Base-Base interactions energy: -703.016 where: short stacking energy: -327.631 Base-Backbone interact. energy: -0.242 local terms energy: -365.793292 where: bonds (distance) C4'-P energy: -69.600 bonds (distance) P-C4' energy: -88.634 flat angles C4'-P-C4' energy: -77.619 flat angles P-C4'-P energy: -56.196 tors. eta vs tors. theta energy: -73.744 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: 1 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -848.659059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.659059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.659059 (E_RNA) where: Base-Base interactions energy: -524.327 where: short stacking energy: -240.876 Base-Backbone interact. energy: -1.124 local terms energy: -323.208132 where: bonds (distance) C4'-P energy: -69.397 bonds (distance) P-C4' energy: -80.697 flat angles C4'-P-C4' energy: -87.651 flat angles P-C4'-P energy: -60.687 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: 9, replica: 9 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -653.230460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.230460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.230460 (E_RNA) where: Base-Base interactions energy: -350.685 where: short stacking energy: -209.637 Base-Backbone interact. energy: 6.455 local terms energy: -309.000865 where: bonds (distance) C4'-P energy: -95.405 bonds (distance) P-C4' energy: -70.768 flat angles C4'-P-C4' energy: -57.379 flat angles P-C4'-P energy: -53.024 tors. eta vs tors. theta energy: -32.425 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: 5 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -594.265014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.265014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.265014 (E_RNA) where: Base-Base interactions energy: -333.057 where: short stacking energy: -165.821 Base-Backbone interact. energy: -1.197 local terms energy: -260.011457 where: bonds (distance) C4'-P energy: -65.785 bonds (distance) P-C4' energy: -84.542 flat angles C4'-P-C4' energy: -77.395 flat angles P-C4'-P energy: -40.856 tors. eta vs tors. theta energy: 8.566 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: 8 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1657.172511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.172511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.172511 (E_RNA) where: Base-Base interactions energy: -1143.130 where: short stacking energy: -502.775 Base-Backbone interact. energy: -1.819 local terms energy: -512.223565 where: bonds (distance) C4'-P energy: -100.545 bonds (distance) P-C4' energy: -94.172 flat angles C4'-P-C4' energy: -104.333 flat angles P-C4'-P energy: -71.721 tors. eta vs tors. theta energy: -141.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1583.792982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.792982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.792982 (E_RNA) where: Base-Base interactions energy: -1070.938 where: short stacking energy: -470.890 Base-Backbone interact. energy: -2.650 local terms energy: -510.205208 where: bonds (distance) C4'-P energy: -97.962 bonds (distance) P-C4' energy: -95.074 flat angles C4'-P-C4' energy: -106.855 flat angles P-C4'-P energy: -69.539 tors. eta vs tors. theta energy: -140.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1577.284947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.284947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.284947 (E_RNA) where: Base-Base interactions energy: -1087.585 where: short stacking energy: -465.491 Base-Backbone interact. energy: -1.885 local terms energy: -487.814612 where: bonds (distance) C4'-P energy: -83.700 bonds (distance) P-C4' energy: -88.844 flat angles C4'-P-C4' energy: -101.796 flat angles P-C4'-P energy: -74.494 tors. eta vs tors. theta energy: -138.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1484.428542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.428542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.428542 (E_RNA) where: Base-Base interactions energy: -982.523 where: short stacking energy: -440.160 Base-Backbone interact. energy: 2.361 local terms energy: -504.265738 where: bonds (distance) C4'-P energy: -98.004 bonds (distance) P-C4' energy: -103.851 flat angles C4'-P-C4' energy: -103.747 flat angles P-C4'-P energy: -71.491 tors. eta vs tors. theta energy: -127.173 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: 3 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1371.082964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.082964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.082964 (E_RNA) where: Base-Base interactions energy: -938.467 where: short stacking energy: -403.714 Base-Backbone interact. energy: 0.683 local terms energy: -433.298976 where: bonds (distance) C4'-P energy: -82.254 bonds (distance) P-C4' energy: -77.310 flat angles C4'-P-C4' energy: -89.219 flat angles P-C4'-P energy: -68.276 tors. eta vs tors. theta energy: -116.240 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: 6, replica: 7 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1124.647424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.647424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.647424 (E_RNA) where: Base-Base interactions energy: -738.313 where: short stacking energy: -332.123 Base-Backbone interact. energy: -1.791 local terms energy: -384.542697 where: bonds (distance) C4'-P energy: -85.050 bonds (distance) P-C4' energy: -96.587 flat angles C4'-P-C4' energy: -83.909 flat angles P-C4'-P energy: -49.624 tors. eta vs tors. theta energy: -69.372 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: 4 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1026.609585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.609585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.609585 (E_RNA) where: Base-Base interactions energy: -673.337 where: short stacking energy: -301.636 Base-Backbone interact. energy: 4.233 local terms energy: -357.505882 where: bonds (distance) C4'-P energy: -73.384 bonds (distance) P-C4' energy: -94.065 flat angles C4'-P-C4' energy: -78.325 flat angles P-C4'-P energy: -57.122 tors. eta vs tors. theta energy: -54.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -778.660175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.660175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.660175 (E_RNA) where: Base-Base interactions energy: -461.122 where: short stacking energy: -228.574 Base-Backbone interact. energy: 2.078 local terms energy: -319.616505 where: bonds (distance) C4'-P energy: -81.011 bonds (distance) P-C4' energy: -89.192 flat angles C4'-P-C4' energy: -73.637 flat angles P-C4'-P energy: -39.393 tors. eta vs tors. theta energy: -36.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -663.019811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.019811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.019811 (E_RNA) where: Base-Base interactions energy: -354.900 where: short stacking energy: -175.931 Base-Backbone interact. energy: 1.788 local terms energy: -309.908032 where: bonds (distance) C4'-P energy: -81.892 bonds (distance) P-C4' energy: -81.067 flat angles C4'-P-C4' energy: -81.303 flat angles P-C4'-P energy: -51.753 tors. eta vs tors. theta energy: -13.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -611.952568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.952568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.952568 (E_RNA) where: Base-Base interactions energy: -337.070 where: short stacking energy: -146.507 Base-Backbone interact. energy: -0.896 local terms energy: -273.987065 where: bonds (distance) C4'-P energy: -64.363 bonds (distance) P-C4' energy: -75.128 flat angles C4'-P-C4' energy: -84.498 flat angles P-C4'-P energy: -42.174 tors. eta vs tors. theta energy: -7.823 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: 8 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1663.499174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.499174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.499174 (E_RNA) where: Base-Base interactions energy: -1124.231 where: short stacking energy: -509.324 Base-Backbone interact. energy: -1.007 local terms energy: -538.261247 where: bonds (distance) C4'-P energy: -101.357 bonds (distance) P-C4' energy: -101.320 flat angles C4'-P-C4' energy: -114.727 flat angles P-C4'-P energy: -77.535 tors. eta vs tors. theta energy: -143.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1598.079561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.079561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.079561 (E_RNA) where: Base-Base interactions energy: -1082.766 where: short stacking energy: -472.893 Base-Backbone interact. energy: 0.139 local terms energy: -515.453228 where: bonds (distance) C4'-P energy: -90.546 bonds (distance) P-C4' energy: -100.939 flat angles C4'-P-C4' energy: -107.743 flat angles P-C4'-P energy: -74.368 tors. eta vs tors. theta energy: -141.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1565.903617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.903617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.903617 (E_RNA) where: Base-Base interactions energy: -1078.918 where: short stacking energy: -470.870 Base-Backbone interact. energy: -1.621 local terms energy: -485.364559 where: bonds (distance) C4'-P energy: -88.167 bonds (distance) P-C4' energy: -92.605 flat angles C4'-P-C4' energy: -95.652 flat angles P-C4'-P energy: -62.977 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: 4, replica: 6 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1512.710501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.710501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.710501 (E_RNA) where: Base-Base interactions energy: -1023.671 where: short stacking energy: -441.661 Base-Backbone interact. energy: -3.327 local terms energy: -485.712630 where: bonds (distance) C4'-P energy: -99.685 bonds (distance) P-C4' energy: -85.302 flat angles C4'-P-C4' energy: -95.686 flat angles P-C4'-P energy: -67.934 tors. eta vs tors. theta energy: -137.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1360.117755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.117755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.117755 (E_RNA) where: Base-Base interactions energy: -921.021 where: short stacking energy: -408.412 Base-Backbone interact. energy: -2.657 local terms energy: -436.440372 where: bonds (distance) C4'-P energy: -91.732 bonds (distance) P-C4' energy: -88.943 flat angles C4'-P-C4' energy: -93.953 flat angles P-C4'-P energy: -56.459 tors. eta vs tors. theta energy: -105.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1080.074178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.074178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.074178 (E_RNA) where: Base-Base interactions energy: -695.514 where: short stacking energy: -333.942 Base-Backbone interact. energy: -1.220 local terms energy: -383.339259 where: bonds (distance) C4'-P energy: -63.463 bonds (distance) P-C4' energy: -88.652 flat angles C4'-P-C4' energy: -96.889 flat angles P-C4'-P energy: -50.110 tors. eta vs tors. theta energy: -84.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1089.487044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.487044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.487044 (E_RNA) where: Base-Base interactions energy: -699.702 where: short stacking energy: -301.317 Base-Backbone interact. energy: -1.430 local terms energy: -388.355253 where: bonds (distance) C4'-P energy: -83.037 bonds (distance) P-C4' energy: -78.522 flat angles C4'-P-C4' energy: -91.617 flat angles P-C4'-P energy: -58.369 tors. eta vs tors. theta energy: -76.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -734.905514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.905514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.905514 (E_RNA) where: Base-Base interactions energy: -418.633 where: short stacking energy: -219.725 Base-Backbone interact. energy: 8.261 local terms energy: -324.534026 where: bonds (distance) C4'-P energy: -85.609 bonds (distance) P-C4' energy: -76.840 flat angles C4'-P-C4' energy: -84.353 flat angles P-C4'-P energy: -52.984 tors. eta vs tors. theta energy: -24.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -659.569304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.569304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.569304 (E_RNA) where: Base-Base interactions energy: -337.545 where: short stacking energy: -170.500 Base-Backbone interact. energy: 1.331 local terms energy: -323.355845 where: bonds (distance) C4'-P energy: -86.617 bonds (distance) P-C4' energy: -79.672 flat angles C4'-P-C4' energy: -81.935 flat angles P-C4'-P energy: -61.617 tors. eta vs tors. theta energy: -13.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -589.072926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.072926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.072926 (E_RNA) where: Base-Base interactions energy: -338.230 where: short stacking energy: -170.374 Base-Backbone interact. energy: -0.468 local terms energy: -250.375167 where: bonds (distance) C4'-P energy: -83.781 bonds (distance) P-C4' energy: -86.998 flat angles C4'-P-C4' energy: -57.933 flat angles P-C4'-P energy: -27.970 tors. eta vs tors. theta energy: 6.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1662.040294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.040294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.040294 (E_RNA) where: Base-Base interactions energy: -1144.385 where: short stacking energy: -511.244 Base-Backbone interact. energy: -1.387 local terms energy: -516.268267 where: bonds (distance) C4'-P energy: -99.905 bonds (distance) P-C4' energy: -97.432 flat angles C4'-P-C4' energy: -108.898 flat angles P-C4'-P energy: -65.599 tors. eta vs tors. theta energy: -144.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1612.323586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.323586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.323586 (E_RNA) where: Base-Base interactions energy: -1089.441 where: short stacking energy: -475.962 Base-Backbone interact. energy: -2.112 local terms energy: -520.770980 where: bonds (distance) C4'-P energy: -106.629 bonds (distance) P-C4' energy: -96.438 flat angles C4'-P-C4' energy: -107.513 flat angles P-C4'-P energy: -68.231 tors. eta vs tors. theta energy: -141.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1566.235386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.235386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.235386 (E_RNA) where: Base-Base interactions energy: -1087.065 where: short stacking energy: -474.479 Base-Backbone interact. energy: 0.822 local terms energy: -479.992561 where: bonds (distance) C4'-P energy: -74.964 bonds (distance) P-C4' energy: -91.177 flat angles C4'-P-C4' energy: -104.465 flat angles P-C4'-P energy: -74.988 tors. eta vs tors. theta energy: -134.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1514.728142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.728142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.728142 (E_RNA) where: Base-Base interactions energy: -1071.201 where: short stacking energy: -437.439 Base-Backbone interact. energy: -0.147 local terms energy: -443.379876 where: bonds (distance) C4'-P energy: -71.181 bonds (distance) P-C4' energy: -81.640 flat angles C4'-P-C4' energy: -94.584 flat angles P-C4'-P energy: -61.730 tors. eta vs tors. theta energy: -134.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1309.984295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.984295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.984295 (E_RNA) where: Base-Base interactions energy: -884.490 where: short stacking energy: -404.032 Base-Backbone interact. energy: 1.470 local terms energy: -426.963876 where: bonds (distance) C4'-P energy: -85.469 bonds (distance) P-C4' energy: -88.279 flat angles C4'-P-C4' energy: -90.514 flat angles P-C4'-P energy: -63.196 tors. eta vs tors. theta energy: -99.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1030.114682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.114682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.114682 (E_RNA) where: Base-Base interactions energy: -637.785 where: short stacking energy: -290.888 Base-Backbone interact. energy: -1.678 local terms energy: -390.652418 where: bonds (distance) C4'-P energy: -95.138 bonds (distance) P-C4' energy: -78.639 flat angles C4'-P-C4' energy: -87.366 flat angles P-C4'-P energy: -56.375 tors. eta vs tors. theta energy: -73.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1066.991073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.991073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.991073 (E_RNA) where: Base-Base interactions energy: -715.982 where: short stacking energy: -321.990 Base-Backbone interact. energy: 1.549 local terms energy: -352.558481 where: bonds (distance) C4'-P energy: -74.134 bonds (distance) P-C4' energy: -75.305 flat angles C4'-P-C4' energy: -96.354 flat angles P-C4'-P energy: -50.991 tors. eta vs tors. theta energy: -55.774 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: 106 Temperature: 1.250000 Total energy: -801.362691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.362691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.362691 (E_RNA) where: Base-Base interactions energy: -467.528 where: short stacking energy: -237.625 Base-Backbone interact. energy: 1.374 local terms energy: -335.208470 where: bonds (distance) C4'-P energy: -73.406 bonds (distance) P-C4' energy: -93.497 flat angles C4'-P-C4' energy: -85.736 flat angles P-C4'-P energy: -34.627 tors. eta vs tors. theta energy: -47.943 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: 9 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -646.273410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.273410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.273410 (E_RNA) where: Base-Base interactions energy: -345.887 where: short stacking energy: -189.114 Base-Backbone interact. energy: 0.324 local terms energy: -300.710762 where: bonds (distance) C4'-P energy: -67.775 bonds (distance) P-C4' energy: -90.136 flat angles C4'-P-C4' energy: -74.914 flat angles P-C4'-P energy: -47.316 tors. eta vs tors. theta energy: -20.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -597.869205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.869205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.869205 (E_RNA) where: Base-Base interactions energy: -331.763 where: short stacking energy: -168.986 Base-Backbone interact. energy: -1.397 local terms energy: -264.709208 where: bonds (distance) C4'-P energy: -61.808 bonds (distance) P-C4' energy: -77.366 flat angles C4'-P-C4' energy: -60.547 flat angles P-C4'-P energy: -50.570 tors. eta vs tors. theta energy: -14.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1694.022178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.022178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.022178 (E_RNA) where: Base-Base interactions energy: -1159.864 where: short stacking energy: -516.524 Base-Backbone interact. energy: -0.106 local terms energy: -534.051991 where: bonds (distance) C4'-P energy: -91.709 bonds (distance) P-C4' energy: -102.430 flat angles C4'-P-C4' energy: -108.642 flat angles P-C4'-P energy: -83.258 tors. eta vs tors. theta energy: -148.014 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: 6 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1592.683532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.683532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.683532 (E_RNA) where: Base-Base interactions energy: -1075.423 where: short stacking energy: -512.918 Base-Backbone interact. energy: -1.458 local terms energy: -515.802294 where: bonds (distance) C4'-P energy: -95.284 bonds (distance) P-C4' energy: -98.114 flat angles C4'-P-C4' energy: -104.651 flat angles P-C4'-P energy: -76.263 tors. eta vs tors. theta energy: -141.491 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: 2 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1605.277131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.277131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.277131 (E_RNA) where: Base-Base interactions energy: -1106.707 where: short stacking energy: -499.379 Base-Backbone interact. energy: -1.757 local terms energy: -496.812971 where: bonds (distance) C4'-P energy: -90.443 bonds (distance) P-C4' energy: -87.333 flat angles C4'-P-C4' energy: -107.666 flat angles P-C4'-P energy: -72.955 tors. eta vs tors. theta energy: -138.417 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: 107 Temperature: 1.050000 Total energy: -1489.769420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.769420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.769420 (E_RNA) where: Base-Base interactions energy: -1037.996 where: short stacking energy: -441.668 Base-Backbone interact. energy: -4.013 local terms energy: -447.761233 where: bonds (distance) C4'-P energy: -82.443 bonds (distance) P-C4' energy: -84.803 flat angles C4'-P-C4' energy: -97.678 flat angles P-C4'-P energy: -57.266 tors. eta vs tors. theta energy: -125.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1360.190551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.190551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.190551 (E_RNA) where: Base-Base interactions energy: -935.166 where: short stacking energy: -413.044 Base-Backbone interact. energy: -1.215 local terms energy: -423.809685 where: bonds (distance) C4'-P energy: -83.671 bonds (distance) P-C4' energy: -85.730 flat angles C4'-P-C4' energy: -96.061 flat angles P-C4'-P energy: -48.827 tors. eta vs tors. theta energy: -109.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1143.714537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.714537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.714537 (E_RNA) where: Base-Base interactions energy: -739.703 where: short stacking energy: -300.475 Base-Backbone interact. energy: -2.571 local terms energy: -401.440260 where: bonds (distance) C4'-P energy: -84.230 bonds (distance) P-C4' energy: -93.345 flat angles C4'-P-C4' energy: -95.965 flat angles P-C4'-P energy: -61.046 tors. eta vs tors. theta energy: -66.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1033.869723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.869723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.869723 (E_RNA) where: Base-Base interactions energy: -699.875 where: short stacking energy: -326.676 Base-Backbone interact. energy: -0.091 local terms energy: -333.903719 where: bonds (distance) C4'-P energy: -61.733 bonds (distance) P-C4' energy: -81.879 flat angles C4'-P-C4' energy: -79.290 flat angles P-C4'-P energy: -45.770 tors. eta vs tors. theta energy: -65.231 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: 1 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -720.671041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.671041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.671041 (E_RNA) where: Base-Base interactions energy: -409.210 where: short stacking energy: -231.748 Base-Backbone interact. energy: -3.036 local terms energy: -308.425191 where: bonds (distance) C4'-P energy: -79.427 bonds (distance) P-C4' energy: -74.476 flat angles C4'-P-C4' energy: -69.583 flat angles P-C4'-P energy: -57.918 tors. eta vs tors. theta energy: -27.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -636.124723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.124723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.124723 (E_RNA) where: Base-Base interactions energy: -316.313 where: short stacking energy: -178.632 Base-Backbone interact. energy: -1.583 local terms energy: -318.229293 where: bonds (distance) C4'-P energy: -82.050 bonds (distance) P-C4' energy: -89.389 flat angles C4'-P-C4' energy: -77.771 flat angles P-C4'-P energy: -37.748 tors. eta vs tors. theta energy: -31.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -609.636494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.636494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.636494 (E_RNA) where: Base-Base interactions energy: -354.098 where: short stacking energy: -190.741 Base-Backbone interact. energy: -0.606 local terms energy: -254.932782 where: bonds (distance) C4'-P energy: -68.518 bonds (distance) P-C4' energy: -77.244 flat angles C4'-P-C4' energy: -66.210 flat angles P-C4'-P energy: -46.425 tors. eta vs tors. theta energy: 3.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1685.333154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.333154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.333154 (E_RNA) where: Base-Base interactions energy: -1146.946 where: short stacking energy: -503.713 Base-Backbone interact. energy: -0.043 local terms energy: -538.344063 where: bonds (distance) C4'-P energy: -103.244 bonds (distance) P-C4' energy: -99.030 flat angles C4'-P-C4' energy: -113.105 flat angles P-C4'-P energy: -73.364 tors. eta vs tors. theta energy: -149.600 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: 6 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1602.265310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.265310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.265310 (E_RNA) where: Base-Base interactions energy: -1094.837 where: short stacking energy: -502.291 Base-Backbone interact. energy: 0.435 local terms energy: -507.863918 where: bonds (distance) C4'-P energy: -85.358 bonds (distance) P-C4' energy: -98.116 flat angles C4'-P-C4' energy: -110.077 flat angles P-C4'-P energy: -75.401 tors. eta vs tors. theta energy: -138.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1590.984395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.984395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.984395 (E_RNA) where: Base-Base interactions energy: -1106.984 where: short stacking energy: -487.930 Base-Backbone interact. energy: -3.574 local terms energy: -480.427035 where: bonds (distance) C4'-P energy: -85.971 bonds (distance) P-C4' energy: -100.834 flat angles C4'-P-C4' energy: -102.210 flat angles P-C4'-P energy: -57.781 tors. eta vs tors. theta energy: -133.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1476.550095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.550095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.550095 (E_RNA) where: Base-Base interactions energy: -1022.474 where: short stacking energy: -411.131 Base-Backbone interact. energy: -2.508 local terms energy: -451.568007 where: bonds (distance) C4'-P energy: -81.350 bonds (distance) P-C4' energy: -93.805 flat angles C4'-P-C4' energy: -108.286 flat angles P-C4'-P energy: -53.921 tors. eta vs tors. theta energy: -114.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1389.605162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.605162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.605162 (E_RNA) where: Base-Base interactions energy: -935.916 where: short stacking energy: -407.872 Base-Backbone interact. energy: -1.791 local terms energy: -451.897929 where: bonds (distance) C4'-P energy: -97.641 bonds (distance) P-C4' energy: -104.511 flat angles C4'-P-C4' energy: -86.788 flat angles P-C4'-P energy: -52.268 tors. eta vs tors. theta energy: -110.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1159.932381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.932381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.932381 (E_RNA) where: Base-Base interactions energy: -761.402 where: short stacking energy: -344.986 Base-Backbone interact. energy: -0.830 local terms energy: -397.700760 where: bonds (distance) C4'-P energy: -86.158 bonds (distance) P-C4' energy: -92.082 flat angles C4'-P-C4' energy: -90.004 flat angles P-C4'-P energy: -42.004 tors. eta vs tors. theta energy: -87.454 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: 4 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1027.748547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.748547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.748547 (E_RNA) where: Base-Base interactions energy: -681.436 where: short stacking energy: -286.083 Base-Backbone interact. energy: 1.925 local terms energy: -348.237248 where: bonds (distance) C4'-P energy: -81.917 bonds (distance) P-C4' energy: -86.734 flat angles C4'-P-C4' energy: -72.935 flat angles P-C4'-P energy: -54.075 tors. eta vs tors. theta energy: -52.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -663.895418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.895418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.895418 (E_RNA) where: Base-Base interactions energy: -365.006 where: short stacking energy: -201.836 Base-Backbone interact. energy: -1.080 local terms energy: -297.809267 where: bonds (distance) C4'-P energy: -87.091 bonds (distance) P-C4' energy: -81.324 flat angles C4'-P-C4' energy: -81.470 flat angles P-C4'-P energy: -26.255 tors. eta vs tors. theta energy: -21.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -710.806882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.806882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.806882 (E_RNA) where: Base-Base interactions energy: -407.479 where: short stacking energy: -205.556 Base-Backbone interact. energy: 1.138 local terms energy: -304.466017 where: bonds (distance) C4'-P energy: -74.779 bonds (distance) P-C4' energy: -87.197 flat angles C4'-P-C4' energy: -80.561 flat angles P-C4'-P energy: -40.372 tors. eta vs tors. theta energy: -21.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -570.015789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.015789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.015789 (E_RNA) where: Base-Base interactions energy: -296.637 where: short stacking energy: -154.494 Base-Backbone interact. energy: -1.663 local terms energy: -271.716030 where: bonds (distance) C4'-P energy: -60.288 bonds (distance) P-C4' energy: -69.985 flat angles C4'-P-C4' energy: -81.723 flat angles P-C4'-P energy: -49.672 tors. eta vs tors. theta energy: -10.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1675.947411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.947411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.947411 (E_RNA) where: Base-Base interactions energy: -1158.330 where: short stacking energy: -505.137 Base-Backbone interact. energy: 1.288 local terms energy: -518.905638 where: bonds (distance) C4'-P energy: -83.291 bonds (distance) P-C4' energy: -102.983 flat angles C4'-P-C4' energy: -110.364 flat angles P-C4'-P energy: -78.431 tors. eta vs tors. theta energy: -143.838 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: 2, replica: 2 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1630.241416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.241416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.241416 (E_RNA) where: Base-Base interactions energy: -1141.297 where: short stacking energy: -503.611 Base-Backbone interact. energy: -0.921 local terms energy: -488.024069 where: bonds (distance) C4'-P energy: -84.502 bonds (distance) P-C4' energy: -89.961 flat angles C4'-P-C4' energy: -98.400 flat angles P-C4'-P energy: -70.889 tors. eta vs tors. theta energy: -144.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1595.094775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.094775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.094775 (E_RNA) where: Base-Base interactions energy: -1108.974 where: short stacking energy: -492.369 Base-Backbone interact. energy: 0.547 local terms energy: -486.667972 where: bonds (distance) C4'-P energy: -81.465 bonds (distance) P-C4' energy: -97.792 flat angles C4'-P-C4' energy: -104.301 flat angles P-C4'-P energy: -63.402 tors. eta vs tors. theta energy: -139.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1506.037177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.037177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.037177 (E_RNA) where: Base-Base interactions energy: -1045.048 where: short stacking energy: -443.987 Base-Backbone interact. energy: -1.323 local terms energy: -459.665502 where: bonds (distance) C4'-P energy: -77.672 bonds (distance) P-C4' energy: -86.758 flat angles C4'-P-C4' energy: -101.967 flat angles P-C4'-P energy: -62.015 tors. eta vs tors. theta energy: -131.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1376.725540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.725540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.725540 (E_RNA) where: Base-Base interactions energy: -942.023 where: short stacking energy: -389.765 Base-Backbone interact. energy: 1.093 local terms energy: -435.795778 where: bonds (distance) C4'-P energy: -81.493 bonds (distance) P-C4' energy: -90.399 flat angles C4'-P-C4' energy: -91.745 flat angles P-C4'-P energy: -61.648 tors. eta vs tors. theta energy: -110.511 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: 7 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1135.514756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.514756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.514756 (E_RNA) where: Base-Base interactions energy: -761.195 where: short stacking energy: -333.018 Base-Backbone interact. energy: 1.159 local terms energy: -375.478290 where: bonds (distance) C4'-P energy: -72.218 bonds (distance) P-C4' energy: -69.321 flat angles C4'-P-C4' energy: -95.266 flat angles P-C4'-P energy: -59.404 tors. eta vs tors. theta energy: -79.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1066.785544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.785544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.785544 (E_RNA) where: Base-Base interactions energy: -707.407 where: short stacking energy: -280.492 Base-Backbone interact. energy: -1.965 local terms energy: -357.413471 where: bonds (distance) C4'-P energy: -73.793 bonds (distance) P-C4' energy: -97.248 flat angles C4'-P-C4' energy: -79.326 flat angles P-C4'-P energy: -43.390 tors. eta vs tors. theta energy: -63.657 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: 8, replica: 5 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -749.800840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.800840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.800840 (E_RNA) where: Base-Base interactions energy: -439.568 where: short stacking energy: -222.877 Base-Backbone interact. energy: -0.195 local terms energy: -310.037569 where: bonds (distance) C4'-P energy: -72.110 bonds (distance) P-C4' energy: -91.044 flat angles C4'-P-C4' energy: -79.585 flat angles P-C4'-P energy: -42.546 tors. eta vs tors. theta energy: -24.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -692.109965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.109965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.109965 (E_RNA) where: Base-Base interactions energy: -366.309 where: short stacking energy: -187.505 Base-Backbone interact. energy: -0.601 local terms energy: -325.199418 where: bonds (distance) C4'-P energy: -81.673 bonds (distance) P-C4' energy: -88.376 flat angles C4'-P-C4' energy: -87.706 flat angles P-C4'-P energy: -48.041 tors. eta vs tors. theta energy: -19.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -587.151759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.151759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.151759 (E_RNA) where: Base-Base interactions energy: -312.124 where: short stacking energy: -173.070 Base-Backbone interact. energy: 0.008 local terms energy: -275.035713 where: bonds (distance) C4'-P energy: -79.521 bonds (distance) P-C4' energy: -66.607 flat angles C4'-P-C4' energy: -59.433 flat angles P-C4'-P energy: -53.031 tors. eta vs tors. theta energy: -16.443 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: 1, replica: 8 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1675.600872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.600872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.600872 (E_RNA) where: Base-Base interactions energy: -1150.807 where: short stacking energy: -501.407 Base-Backbone interact. energy: -0.845 local terms energy: -523.948688 where: bonds (distance) C4'-P energy: -88.868 bonds (distance) P-C4' energy: -99.967 flat angles C4'-P-C4' energy: -109.913 flat angles P-C4'-P energy: -76.413 tors. eta vs tors. theta energy: -148.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1623.607970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.607970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.607970 (E_RNA) where: Base-Base interactions energy: -1125.931 where: short stacking energy: -489.911 Base-Backbone interact. energy: -4.291 local terms energy: -493.385789 where: bonds (distance) C4'-P energy: -92.883 bonds (distance) P-C4' energy: -88.896 flat angles C4'-P-C4' energy: -100.720 flat angles P-C4'-P energy: -70.369 tors. eta vs tors. theta energy: -140.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1561.349139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.349139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.349139 (E_RNA) where: Base-Base interactions energy: -1073.685 where: short stacking energy: -464.824 Base-Backbone interact. energy: -1.086 local terms energy: -486.577986 where: bonds (distance) C4'-P energy: -86.372 bonds (distance) P-C4' energy: -95.039 flat angles C4'-P-C4' energy: -98.871 flat angles P-C4'-P energy: -69.928 tors. eta vs tors. theta energy: -136.368 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: 10 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1504.971678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.971678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.971678 (E_RNA) where: Base-Base interactions energy: -1010.880 where: short stacking energy: -446.709 Base-Backbone interact. energy: -2.245 local terms energy: -491.846294 where: bonds (distance) C4'-P energy: -85.110 bonds (distance) P-C4' energy: -107.058 flat angles C4'-P-C4' energy: -111.152 flat angles P-C4'-P energy: -57.445 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: 5, replica: 3 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1365.710767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.710767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.710767 (E_RNA) where: Base-Base interactions energy: -951.133 where: short stacking energy: -399.179 Base-Backbone interact. energy: 1.420 local terms energy: -415.997363 where: bonds (distance) C4'-P energy: -74.224 bonds (distance) P-C4' energy: -86.512 flat angles C4'-P-C4' energy: -86.422 flat angles P-C4'-P energy: -64.048 tors. eta vs tors. theta energy: -104.791 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: 110 Temperature: 1.150000 Total energy: -1096.639129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.639129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.639129 (E_RNA) where: Base-Base interactions energy: -715.473 where: short stacking energy: -332.467 Base-Backbone interact. energy: 1.026 local terms energy: -382.191928 where: bonds (distance) C4'-P energy: -91.158 bonds (distance) P-C4' energy: -80.892 flat angles C4'-P-C4' energy: -81.885 flat angles P-C4'-P energy: -55.829 tors. eta vs tors. theta energy: -72.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1086.900251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.900251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.900251 (E_RNA) where: Base-Base interactions energy: -697.613 where: short stacking energy: -288.374 Base-Backbone interact. energy: -2.864 local terms energy: -386.422811 where: bonds (distance) C4'-P energy: -91.249 bonds (distance) P-C4' energy: -83.568 flat angles C4'-P-C4' energy: -92.579 flat angles P-C4'-P energy: -55.571 tors. eta vs tors. theta energy: -63.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -763.118242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.118242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.118242 (E_RNA) where: Base-Base interactions energy: -475.596 where: short stacking energy: -210.626 Base-Backbone interact. energy: 6.058 local terms energy: -293.581128 where: bonds (distance) C4'-P energy: -76.569 bonds (distance) P-C4' energy: -96.871 flat angles C4'-P-C4' energy: -70.914 flat angles P-C4'-P energy: -39.528 tors. eta vs tors. theta energy: -9.698 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: 9, replica: 1 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -681.478290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.478290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.478290 (E_RNA) where: Base-Base interactions energy: -385.331 where: short stacking energy: -212.038 Base-Backbone interact. energy: 2.450 local terms energy: -298.596859 where: bonds (distance) C4'-P energy: -69.396 bonds (distance) P-C4' energy: -81.648 flat angles C4'-P-C4' energy: -67.987 flat angles P-C4'-P energy: -52.555 tors. eta vs tors. theta energy: -27.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -549.776119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.776119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.776119 (E_RNA) where: Base-Base interactions energy: -291.421 where: short stacking energy: -145.036 Base-Backbone interact. energy: -1.410 local terms energy: -256.944625 where: bonds (distance) C4'-P energy: -57.106 bonds (distance) P-C4' energy: -88.883 flat angles C4'-P-C4' energy: -69.591 flat angles P-C4'-P energy: -40.389 tors. eta vs tors. theta energy: -0.975 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: 8 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1675.576932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.576932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.576932 (E_RNA) where: Base-Base interactions energy: -1152.540 where: short stacking energy: -518.754 Base-Backbone interact. energy: -0.513 local terms energy: -522.523902 where: bonds (distance) C4'-P energy: -95.534 bonds (distance) P-C4' energy: -100.583 flat angles C4'-P-C4' energy: -114.406 flat angles P-C4'-P energy: -64.652 tors. eta vs tors. theta energy: -147.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1635.396872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.396872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.396872 (E_RNA) where: Base-Base interactions energy: -1142.001 where: short stacking energy: -483.434 Base-Backbone interact. energy: -0.738 local terms energy: -492.657853 where: bonds (distance) C4'-P energy: -83.073 bonds (distance) P-C4' energy: -93.102 flat angles C4'-P-C4' energy: -112.673 flat angles P-C4'-P energy: -60.207 tors. eta vs tors. theta energy: -143.602 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: 6 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1561.921816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.921816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.921816 (E_RNA) where: Base-Base interactions energy: -1067.017 where: short stacking energy: -480.821 Base-Backbone interact. energy: -1.391 local terms energy: -493.513383 where: bonds (distance) C4'-P energy: -90.407 bonds (distance) P-C4' energy: -82.556 flat angles C4'-P-C4' energy: -103.084 flat angles P-C4'-P energy: -74.433 tors. eta vs tors. theta energy: -143.033 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: 10 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1502.855452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.855452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.855452 (E_RNA) where: Base-Base interactions energy: -1029.699 where: short stacking energy: -423.404 Base-Backbone interact. energy: -2.233 local terms energy: -470.923909 where: bonds (distance) C4'-P energy: -90.644 bonds (distance) P-C4' energy: -95.464 flat angles C4'-P-C4' energy: -105.490 flat angles P-C4'-P energy: -64.759 tors. eta vs tors. theta energy: -114.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1375.527638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.527638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.527638 (E_RNA) where: Base-Base interactions energy: -920.763 where: short stacking energy: -396.744 Base-Backbone interact. energy: 1.415 local terms energy: -456.179991 where: bonds (distance) C4'-P energy: -91.015 bonds (distance) P-C4' energy: -84.126 flat angles C4'-P-C4' energy: -103.122 flat angles P-C4'-P energy: -69.248 tors. eta vs tors. theta energy: -108.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1066.347151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.347151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.347151 (E_RNA) where: Base-Base interactions energy: -689.471 where: short stacking energy: -274.281 Base-Backbone interact. energy: -1.753 local terms energy: -375.124020 where: bonds (distance) C4'-P energy: -84.177 bonds (distance) P-C4' energy: -86.538 flat angles C4'-P-C4' energy: -94.562 flat angles P-C4'-P energy: -54.078 tors. eta vs tors. theta energy: -55.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1091.161564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.161564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.161564 (E_RNA) where: Base-Base interactions energy: -717.754 where: short stacking energy: -309.352 Base-Backbone interact. energy: -0.226 local terms energy: -373.180949 where: bonds (distance) C4'-P energy: -83.456 bonds (distance) P-C4' energy: -88.496 flat angles C4'-P-C4' energy: -88.378 flat angles P-C4'-P energy: -46.019 tors. eta vs tors. theta energy: -66.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -773.477011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.477011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.477011 (E_RNA) where: Base-Base interactions energy: -442.448 where: short stacking energy: -224.121 Base-Backbone interact. energy: -1.365 local terms energy: -329.663207 where: bonds (distance) C4'-P energy: -67.467 bonds (distance) P-C4' energy: -84.702 flat angles C4'-P-C4' energy: -79.552 flat angles P-C4'-P energy: -64.478 tors. eta vs tors. theta energy: -33.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -692.604762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.604762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.604762 (E_RNA) where: Base-Base interactions energy: -379.443 where: short stacking energy: -183.697 Base-Backbone interact. energy: 3.525 local terms energy: -316.686251 where: bonds (distance) C4'-P energy: -79.429 bonds (distance) P-C4' energy: -90.987 flat angles C4'-P-C4' energy: -76.116 flat angles P-C4'-P energy: -50.382 tors. eta vs tors. theta energy: -19.772 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: 9 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -571.814730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.814730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.814730 (E_RNA) where: Base-Base interactions energy: -325.171 where: short stacking energy: -159.972 Base-Backbone interact. energy: 4.334 local terms energy: -250.978555 where: bonds (distance) C4'-P energy: -65.440 bonds (distance) P-C4' energy: -75.859 flat angles C4'-P-C4' energy: -57.316 flat angles P-C4'-P energy: -40.789 tors. eta vs tors. theta energy: -11.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1686.662871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.662871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.662871 (E_RNA) where: Base-Base interactions energy: -1157.190 where: short stacking energy: -506.408 Base-Backbone interact. energy: 0.118 local terms energy: -529.590581 where: bonds (distance) C4'-P energy: -94.651 bonds (distance) P-C4' energy: -101.039 flat angles C4'-P-C4' energy: -116.502 flat angles P-C4'-P energy: -76.852 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: 2, replica: 2 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1603.943638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.943638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.943638 (E_RNA) where: Base-Base interactions energy: -1095.810 where: short stacking energy: -464.217 Base-Backbone interact. energy: -3.367 local terms energy: -504.766208 where: bonds (distance) C4'-P energy: -92.093 bonds (distance) P-C4' energy: -91.689 flat angles C4'-P-C4' energy: -106.724 flat angles P-C4'-P energy: -81.676 tors. eta vs tors. theta energy: -132.584 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: 6 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1593.850664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.850664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.850664 (E_RNA) where: Base-Base interactions energy: -1080.517 where: short stacking energy: -480.881 Base-Backbone interact. energy: 0.020 local terms energy: -513.354081 where: bonds (distance) C4'-P energy: -79.033 bonds (distance) P-C4' energy: -101.834 flat angles C4'-P-C4' energy: -99.741 flat angles P-C4'-P energy: -84.752 tors. eta vs tors. theta energy: -147.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1497.747326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.747326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.747326 (E_RNA) where: Base-Base interactions energy: -1032.184 where: short stacking energy: -434.283 Base-Backbone interact. energy: -2.234 local terms energy: -463.329474 where: bonds (distance) C4'-P energy: -85.382 bonds (distance) P-C4' energy: -85.230 flat angles C4'-P-C4' energy: -102.615 flat angles P-C4'-P energy: -69.005 tors. eta vs tors. theta energy: -121.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1339.489971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.489971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.489971 (E_RNA) where: Base-Base interactions energy: -906.552 where: short stacking energy: -397.258 Base-Backbone interact. energy: -0.874 local terms energy: -432.064383 where: bonds (distance) C4'-P energy: -83.481 bonds (distance) P-C4' energy: -78.902 flat angles C4'-P-C4' energy: -96.200 flat angles P-C4'-P energy: -65.326 tors. eta vs tors. theta energy: -108.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1095.443079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.443079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.443079 (E_RNA) where: Base-Base interactions energy: -708.262 where: short stacking energy: -336.189 Base-Backbone interact. energy: -0.451 local terms energy: -386.729706 where: bonds (distance) C4'-P energy: -78.221 bonds (distance) P-C4' energy: -71.895 flat angles C4'-P-C4' energy: -93.035 flat angles P-C4'-P energy: -53.391 tors. eta vs tors. theta energy: -90.188 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: 4 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1127.954459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.954459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.954459 (E_RNA) where: Base-Base interactions energy: -752.540 where: short stacking energy: -321.741 Base-Backbone interact. energy: -0.004 local terms energy: -375.410803 where: bonds (distance) C4'-P energy: -81.396 bonds (distance) P-C4' energy: -82.059 flat angles C4'-P-C4' energy: -91.084 flat angles P-C4'-P energy: -55.304 tors. eta vs tors. theta energy: -65.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -748.562184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.562184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.562184 (E_RNA) where: Base-Base interactions energy: -427.644 where: short stacking energy: -201.182 Base-Backbone interact. energy: 2.633 local terms energy: -323.551258 where: bonds (distance) C4'-P energy: -69.895 bonds (distance) P-C4' energy: -94.879 flat angles C4'-P-C4' energy: -73.184 flat angles P-C4'-P energy: -59.664 tors. eta vs tors. theta energy: -25.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -603.751409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.751409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.751409 (E_RNA) where: Base-Base interactions energy: -346.793 where: short stacking energy: -195.771 Base-Backbone interact. energy: 4.185 local terms energy: -261.143258 where: bonds (distance) C4'-P energy: -79.152 bonds (distance) P-C4' energy: -72.263 flat angles C4'-P-C4' energy: -54.628 flat angles P-C4'-P energy: -48.499 tors. eta vs tors. theta energy: -6.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -677.568473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.568473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.568473 (E_RNA) where: Base-Base interactions energy: -376.369 where: short stacking energy: -170.519 Base-Backbone interact. energy: -2.450 local terms energy: -298.749379 where: bonds (distance) C4'-P energy: -65.330 bonds (distance) P-C4' energy: -87.574 flat angles C4'-P-C4' energy: -78.617 flat angles P-C4'-P energy: -48.495 tors. eta vs tors. theta energy: -18.733 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: 8 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1677.337207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.337207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.337207 (E_RNA) where: Base-Base interactions energy: -1154.370 where: short stacking energy: -503.400 Base-Backbone interact. energy: -2.061 local terms energy: -520.905471 where: bonds (distance) C4'-P energy: -93.770 bonds (distance) P-C4' energy: -96.124 flat angles C4'-P-C4' energy: -109.542 flat angles P-C4'-P energy: -71.276 tors. eta vs tors. theta energy: -150.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1625.248507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.248507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.248507 (E_RNA) where: Base-Base interactions energy: -1130.202 where: short stacking energy: -469.174 Base-Backbone interact. energy: -4.152 local terms energy: -490.894415 where: bonds (distance) C4'-P energy: -79.138 bonds (distance) P-C4' energy: -96.357 flat angles C4'-P-C4' energy: -108.454 flat angles P-C4'-P energy: -69.481 tors. eta vs tors. theta energy: -137.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1589.282115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.282115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.282115 (E_RNA) where: Base-Base interactions energy: -1080.221 where: short stacking energy: -475.890 Base-Backbone interact. energy: -0.405 local terms energy: -508.656779 where: bonds (distance) C4'-P energy: -94.993 bonds (distance) P-C4' energy: -93.909 flat angles C4'-P-C4' energy: -104.433 flat angles P-C4'-P energy: -76.242 tors. eta vs tors. theta energy: -139.080 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: 10 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1514.248727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.248727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.248727 (E_RNA) where: Base-Base interactions energy: -1053.943 where: short stacking energy: -444.588 Base-Backbone interact. energy: -0.169 local terms energy: -460.136538 where: bonds (distance) C4'-P energy: -89.417 bonds (distance) P-C4' energy: -71.994 flat angles C4'-P-C4' energy: -99.557 flat angles P-C4'-P energy: -70.591 tors. eta vs tors. theta energy: -128.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1296.433945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.433945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.433945 (E_RNA) where: Base-Base interactions energy: -861.987 where: short stacking energy: -395.434 Base-Backbone interact. energy: 0.679 local terms energy: -435.126445 where: bonds (distance) C4'-P energy: -78.686 bonds (distance) P-C4' energy: -91.825 flat angles C4'-P-C4' energy: -90.494 flat angles P-C4'-P energy: -56.587 tors. eta vs tors. theta energy: -117.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1188.575963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.575963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.575963 (E_RNA) where: Base-Base interactions energy: -772.341 where: short stacking energy: -326.812 Base-Backbone interact. energy: 0.146 local terms energy: -416.381158 where: bonds (distance) C4'-P energy: -83.017 bonds (distance) P-C4' energy: -107.046 flat angles C4'-P-C4' energy: -91.395 flat angles P-C4'-P energy: -60.439 tors. eta vs tors. theta energy: -74.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1053.240437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.240437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.240437 (E_RNA) where: Base-Base interactions energy: -684.283 where: short stacking energy: -309.099 Base-Backbone interact. energy: -0.067 local terms energy: -368.890181 where: bonds (distance) C4'-P energy: -86.963 bonds (distance) P-C4' energy: -82.695 flat angles C4'-P-C4' energy: -94.462 flat angles P-C4'-P energy: -39.039 tors. eta vs tors. theta energy: -65.731 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: 8, replica: 5 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -727.833007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.833007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.833007 (E_RNA) where: Base-Base interactions energy: -404.584 where: short stacking energy: -208.197 Base-Backbone interact. energy: -1.655 local terms energy: -321.594430 where: bonds (distance) C4'-P energy: -85.178 bonds (distance) P-C4' energy: -83.833 flat angles C4'-P-C4' energy: -82.100 flat angles P-C4'-P energy: -45.239 tors. eta vs tors. theta energy: -25.245 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: 9 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -623.684524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.684524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.684524 (E_RNA) where: Base-Base interactions energy: -319.934 where: short stacking energy: -176.712 Base-Backbone interact. energy: 5.129 local terms energy: -308.879486 where: bonds (distance) C4'-P energy: -82.567 bonds (distance) P-C4' energy: -91.179 flat angles C4'-P-C4' energy: -79.085 flat angles P-C4'-P energy: -40.261 tors. eta vs tors. theta energy: -15.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -684.797840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.797840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.797840 (E_RNA) where: Base-Base interactions energy: -400.838 where: short stacking energy: -178.953 Base-Backbone interact. energy: -0.877 local terms energy: -283.082470 where: bonds (distance) C4'-P energy: -75.587 bonds (distance) P-C4' energy: -76.512 flat angles C4'-P-C4' energy: -73.840 flat angles P-C4'-P energy: -50.183 tors. eta vs tors. theta energy: -6.960 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: 8 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1695.005651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.005651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.005651 (E_RNA) where: Base-Base interactions energy: -1168.859 where: short stacking energy: -505.602 Base-Backbone interact. energy: -2.644 local terms energy: -523.502893 where: bonds (distance) C4'-P energy: -90.556 bonds (distance) P-C4' energy: -98.628 flat angles C4'-P-C4' energy: -114.328 flat angles P-C4'-P energy: -80.179 tors. eta vs tors. theta energy: -139.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1637.177770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.177770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.177770 (E_RNA) where: Base-Base interactions energy: -1131.738 where: short stacking energy: -486.636 Base-Backbone interact. energy: -1.686 local terms energy: -503.753010 where: bonds (distance) C4'-P energy: -91.602 bonds (distance) P-C4' energy: -83.564 flat angles C4'-P-C4' energy: -112.166 flat angles P-C4'-P energy: -72.400 tors. eta vs tors. theta energy: -144.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1572.995924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.995924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.995924 (E_RNA) where: Base-Base interactions energy: -1065.648 where: short stacking energy: -473.689 Base-Backbone interact. energy: -2.518 local terms energy: -504.829601 where: bonds (distance) C4'-P energy: -95.218 bonds (distance) P-C4' energy: -93.294 flat angles C4'-P-C4' energy: -105.265 flat angles P-C4'-P energy: -72.723 tors. eta vs tors. theta energy: -138.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1484.125803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.125803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.125803 (E_RNA) where: Base-Base interactions energy: -1009.130 where: short stacking energy: -422.914 Base-Backbone interact. energy: -3.996 local terms energy: -470.999997 where: bonds (distance) C4'-P energy: -79.271 bonds (distance) P-C4' energy: -85.936 flat angles C4'-P-C4' energy: -106.099 flat angles P-C4'-P energy: -68.958 tors. eta vs tors. theta energy: -130.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1309.146420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.146420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.146420 (E_RNA) where: Base-Base interactions energy: -894.422 where: short stacking energy: -374.872 Base-Backbone interact. energy: 2.663 local terms energy: -417.386771 where: bonds (distance) C4'-P energy: -87.277 bonds (distance) P-C4' energy: -73.212 flat angles C4'-P-C4' energy: -95.765 flat angles P-C4'-P energy: -71.375 tors. eta vs tors. theta energy: -89.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1194.038630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.038630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.038630 (E_RNA) where: Base-Base interactions energy: -776.547 where: short stacking energy: -341.892 Base-Backbone interact. energy: -0.243 local terms energy: -417.247758 where: bonds (distance) C4'-P energy: -94.836 bonds (distance) P-C4' energy: -86.184 flat angles C4'-P-C4' energy: -98.901 flat angles P-C4'-P energy: -60.018 tors. eta vs tors. theta energy: -77.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1005.320873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.320873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.320873 (E_RNA) where: Base-Base interactions energy: -642.137 where: short stacking energy: -295.769 Base-Backbone interact. energy: 1.659 local terms energy: -364.843298 where: bonds (distance) C4'-P energy: -66.176 bonds (distance) P-C4' energy: -83.852 flat angles C4'-P-C4' energy: -80.652 flat angles P-C4'-P energy: -59.996 tors. eta vs tors. theta energy: -74.167 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: 114 Temperature: 1.250000 Total energy: -754.881529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.881529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.881529 (E_RNA) where: Base-Base interactions energy: -463.526 where: short stacking energy: -218.033 Base-Backbone interact. energy: 1.956 local terms energy: -293.311413 where: bonds (distance) C4'-P energy: -75.062 bonds (distance) P-C4' energy: -66.688 flat angles C4'-P-C4' energy: -76.017 flat angles P-C4'-P energy: -46.152 tors. eta vs tors. theta energy: -29.392 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: 1 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -695.462778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.462778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.462778 (E_RNA) where: Base-Base interactions energy: -410.286 where: short stacking energy: -207.958 Base-Backbone interact. energy: -2.424 local terms energy: -282.753271 where: bonds (distance) C4'-P energy: -73.325 bonds (distance) P-C4' energy: -67.863 flat angles C4'-P-C4' energy: -77.887 flat angles P-C4'-P energy: -43.335 tors. eta vs tors. theta energy: -20.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -550.848957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.848957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.848957 (E_RNA) where: Base-Base interactions energy: -277.887 where: short stacking energy: -151.990 Base-Backbone interact. energy: 3.403 local terms energy: -276.365133 where: bonds (distance) C4'-P energy: -78.109 bonds (distance) P-C4' energy: -96.300 flat angles C4'-P-C4' energy: -60.380 flat angles P-C4'-P energy: -33.160 tors. eta vs tors. theta energy: -8.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1707.333851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.333851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.333851 (E_RNA) where: Base-Base interactions energy: -1174.783 where: short stacking energy: -515.479 Base-Backbone interact. energy: -0.253 local terms energy: -532.297681 where: bonds (distance) C4'-P energy: -104.188 bonds (distance) P-C4' energy: -105.411 flat angles C4'-P-C4' energy: -109.566 flat angles P-C4'-P energy: -69.019 tors. eta vs tors. theta energy: -144.114 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: 2 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1629.323289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.323289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.323289 (E_RNA) where: Base-Base interactions energy: -1135.799 where: short stacking energy: -477.915 Base-Backbone interact. energy: -2.182 local terms energy: -491.341996 where: bonds (distance) C4'-P energy: -100.922 bonds (distance) P-C4' energy: -82.093 flat angles C4'-P-C4' energy: -108.136 flat angles P-C4'-P energy: -64.436 tors. eta vs tors. theta energy: -135.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1605.088122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.088122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.088122 (E_RNA) where: Base-Base interactions energy: -1080.573 where: short stacking energy: -502.851 Base-Backbone interact. energy: 0.425 local terms energy: -524.940264 where: bonds (distance) C4'-P energy: -97.415 bonds (distance) P-C4' energy: -84.542 flat angles C4'-P-C4' energy: -112.918 flat angles P-C4'-P energy: -69.895 tors. eta vs tors. theta energy: -160.171 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: 10 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1487.691120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.691120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.691120 (E_RNA) where: Base-Base interactions energy: -1030.304 where: short stacking energy: -424.727 Base-Backbone interact. energy: -1.076 local terms energy: -456.311011 where: bonds (distance) C4'-P energy: -90.686 bonds (distance) P-C4' energy: -87.508 flat angles C4'-P-C4' energy: -88.047 flat angles P-C4'-P energy: -75.102 tors. eta vs tors. theta energy: -114.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1318.380970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.380970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.380970 (E_RNA) where: Base-Base interactions energy: -900.546 where: short stacking energy: -415.321 Base-Backbone interact. energy: -1.772 local terms energy: -416.062539 where: bonds (distance) C4'-P energy: -64.671 bonds (distance) P-C4' energy: -80.339 flat angles C4'-P-C4' energy: -93.628 flat angles P-C4'-P energy: -64.940 tors. eta vs tors. theta energy: -112.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1234.560725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.560725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.560725 (E_RNA) where: Base-Base interactions energy: -841.823 where: short stacking energy: -358.227 Base-Backbone interact. energy: -2.793 local terms energy: -389.944447 where: bonds (distance) C4'-P energy: -80.740 bonds (distance) P-C4' energy: -71.354 flat angles C4'-P-C4' energy: -92.929 flat angles P-C4'-P energy: -52.852 tors. eta vs tors. theta energy: -92.070 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: 7 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1014.627583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.627583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.627583 (E_RNA) where: Base-Base interactions energy: -666.752 where: short stacking energy: -294.331 Base-Backbone interact. energy: 2.308 local terms energy: -350.183785 where: bonds (distance) C4'-P energy: -75.684 bonds (distance) P-C4' energy: -84.326 flat angles C4'-P-C4' energy: -93.155 flat angles P-C4'-P energy: -43.793 tors. eta vs tors. theta energy: -53.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -796.872008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.872008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.872008 (E_RNA) where: Base-Base interactions energy: -475.943 where: short stacking energy: -259.949 Base-Backbone interact. energy: -1.759 local terms energy: -319.170040 where: bonds (distance) C4'-P energy: -76.160 bonds (distance) P-C4' energy: -69.102 flat angles C4'-P-C4' energy: -75.075 flat angles P-C4'-P energy: -50.338 tors. eta vs tors. theta energy: -48.494 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: 1 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -683.791181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.791181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.791181 (E_RNA) where: Base-Base interactions energy: -396.343 where: short stacking energy: -213.714 Base-Backbone interact. energy: -2.251 local terms energy: -285.197214 where: bonds (distance) C4'-P energy: -74.944 bonds (distance) P-C4' energy: -68.616 flat angles C4'-P-C4' energy: -80.424 flat angles P-C4'-P energy: -39.549 tors. eta vs tors. theta energy: -21.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -609.712907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.712907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.712907 (E_RNA) where: Base-Base interactions energy: -319.461 where: short stacking energy: -172.985 Base-Backbone interact. energy: -4.065 local terms energy: -286.186963 where: bonds (distance) C4'-P energy: -83.377 bonds (distance) P-C4' energy: -85.847 flat angles C4'-P-C4' energy: -67.372 flat angles P-C4'-P energy: -33.375 tors. eta vs tors. theta energy: -16.216 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: 8 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1674.006534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.006534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.006534 (E_RNA) where: Base-Base interactions energy: -1149.196 where: short stacking energy: -497.118 Base-Backbone interact. energy: -2.474 local terms energy: -522.335674 where: bonds (distance) C4'-P energy: -109.456 bonds (distance) P-C4' energy: -85.862 flat angles C4'-P-C4' energy: -112.405 flat angles P-C4'-P energy: -71.651 tors. eta vs tors. theta energy: -142.961 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: 116 Temperature: 0.950000 Total energy: -1613.819089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.819089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.819089 (E_RNA) where: Base-Base interactions energy: -1112.028 where: short stacking energy: -480.251 Base-Backbone interact. energy: -4.937 local terms energy: -496.854931 where: bonds (distance) C4'-P energy: -92.351 bonds (distance) P-C4' energy: -95.873 flat angles C4'-P-C4' energy: -110.100 flat angles P-C4'-P energy: -55.705 tors. eta vs tors. theta energy: -142.825 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: 6 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1624.996138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.996138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.996138 (E_RNA) where: Base-Base interactions energy: -1110.319 where: short stacking energy: -501.620 Base-Backbone interact. energy: -0.899 local terms energy: -513.777722 where: bonds (distance) C4'-P energy: -96.621 bonds (distance) P-C4' energy: -81.445 flat angles C4'-P-C4' energy: -106.176 flat angles P-C4'-P energy: -73.450 tors. eta vs tors. theta energy: -156.085 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: 10 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1564.860542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.860542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.860542 (E_RNA) where: Base-Base interactions energy: -1100.036 where: short stacking energy: -446.983 Base-Backbone interact. energy: -0.426 local terms energy: -464.398471 where: bonds (distance) C4'-P energy: -80.935 bonds (distance) P-C4' energy: -87.760 flat angles C4'-P-C4' energy: -103.720 flat angles P-C4'-P energy: -69.864 tors. eta vs tors. theta energy: -122.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1306.192824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.192824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.192824 (E_RNA) where: Base-Base interactions energy: -891.837 where: short stacking energy: -421.352 Base-Backbone interact. energy: -1.304 local terms energy: -413.051821 where: bonds (distance) C4'-P energy: -66.608 bonds (distance) P-C4' energy: -74.515 flat angles C4'-P-C4' energy: -100.125 flat angles P-C4'-P energy: -59.549 tors. eta vs tors. theta energy: -112.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1251.985910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.985910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.985910 (E_RNA) where: Base-Base interactions energy: -858.137 where: short stacking energy: -373.819 Base-Backbone interact. energy: -0.343 local terms energy: -393.506144 where: bonds (distance) C4'-P energy: -82.728 bonds (distance) P-C4' energy: -80.807 flat angles C4'-P-C4' energy: -85.455 flat angles P-C4'-P energy: -61.415 tors. eta vs tors. theta energy: -83.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1058.739956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.739956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.739956 (E_RNA) where: Base-Base interactions energy: -675.877 where: short stacking energy: -312.463 Base-Backbone interact. energy: -2.236 local terms energy: -380.626435 where: bonds (distance) C4'-P energy: -103.381 bonds (distance) P-C4' energy: -88.966 flat angles C4'-P-C4' energy: -88.751 flat angles P-C4'-P energy: -44.976 tors. eta vs tors. theta energy: -54.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -769.913591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.913591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.913591 (E_RNA) where: Base-Base interactions energy: -460.320 where: short stacking energy: -244.013 Base-Backbone interact. energy: -0.081 local terms energy: -309.511862 where: bonds (distance) C4'-P energy: -87.405 bonds (distance) P-C4' energy: -84.060 flat angles C4'-P-C4' energy: -70.352 flat angles P-C4'-P energy: -38.844 tors. eta vs tors. theta energy: -28.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -654.091395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.091395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.091395 (E_RNA) where: Base-Base interactions energy: -348.292 where: short stacking energy: -190.989 Base-Backbone interact. energy: -1.617 local terms energy: -304.182215 where: bonds (distance) C4'-P energy: -68.078 bonds (distance) P-C4' energy: -96.618 flat angles C4'-P-C4' energy: -74.683 flat angles P-C4'-P energy: -36.122 tors. eta vs tors. theta energy: -28.681 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: 9 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -539.439298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.439298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.439298 (E_RNA) where: Base-Base interactions energy: -295.443 where: short stacking energy: -156.839 Base-Backbone interact. energy: 0.987 local terms energy: -244.983822 where: bonds (distance) C4'-P energy: -70.748 bonds (distance) P-C4' energy: -78.317 flat angles C4'-P-C4' energy: -62.904 flat angles P-C4'-P energy: -36.719 tors. eta vs tors. theta energy: 3.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1693.860778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.860778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.860778 (E_RNA) where: Base-Base interactions energy: -1176.049 where: short stacking energy: -499.308 Base-Backbone interact. energy: -3.414 local terms energy: -514.397650 where: bonds (distance) C4'-P energy: -93.983 bonds (distance) P-C4' energy: -89.171 flat angles C4'-P-C4' energy: -111.057 flat angles P-C4'-P energy: -73.225 tors. eta vs tors. theta energy: -146.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1671.811688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.811688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.811688 (E_RNA) where: Base-Base interactions energy: -1143.085 where: short stacking energy: -519.996 Base-Backbone interact. energy: 1.088 local terms energy: -529.814979 where: bonds (distance) C4'-P energy: -97.340 bonds (distance) P-C4' energy: -98.453 flat angles C4'-P-C4' energy: -102.178 flat angles P-C4'-P energy: -74.627 tors. eta vs tors. theta energy: -157.218 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: 117 Temperature: 1.000000 Total energy: -1609.678697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.678697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.678697 (E_RNA) where: Base-Base interactions energy: -1121.345 where: short stacking energy: -485.035 Base-Backbone interact. energy: 5.819 local terms energy: -494.151967 where: bonds (distance) C4'-P energy: -87.478 bonds (distance) P-C4' energy: -96.598 flat angles C4'-P-C4' energy: -105.149 flat angles P-C4'-P energy: -67.562 tors. eta vs tors. theta energy: -137.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1476.632237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.632237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.632237 (E_RNA) where: Base-Base interactions energy: -1018.789 where: short stacking energy: -438.792 Base-Backbone interact. energy: 2.272 local terms energy: -460.115540 where: bonds (distance) C4'-P energy: -90.662 bonds (distance) P-C4' energy: -84.961 flat angles C4'-P-C4' energy: -101.948 flat angles P-C4'-P energy: -65.040 tors. eta vs tors. theta energy: -117.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1270.059075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.059075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.059075 (E_RNA) where: Base-Base interactions energy: -833.887 where: short stacking energy: -383.815 Base-Backbone interact. energy: -2.178 local terms energy: -433.993572 where: bonds (distance) C4'-P energy: -89.112 bonds (distance) P-C4' energy: -88.175 flat angles C4'-P-C4' energy: -93.993 flat angles P-C4'-P energy: -57.199 tors. eta vs tors. theta energy: -105.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1293.264982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.264982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.264982 (E_RNA) where: Base-Base interactions energy: -864.180 where: short stacking energy: -344.979 Base-Backbone interact. energy: -3.068 local terms energy: -426.016599 where: bonds (distance) C4'-P energy: -93.958 bonds (distance) P-C4' energy: -92.930 flat angles C4'-P-C4' energy: -89.159 flat angles P-C4'-P energy: -61.389 tors. eta vs tors. theta energy: -88.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1069.284569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.284569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.284569 (E_RNA) where: Base-Base interactions energy: -687.741 where: short stacking energy: -345.392 Base-Backbone interact. energy: 2.582 local terms energy: -384.124805 where: bonds (distance) C4'-P energy: -79.755 bonds (distance) P-C4' energy: -85.397 flat angles C4'-P-C4' energy: -83.221 flat angles P-C4'-P energy: -44.212 tors. eta vs tors. theta energy: -91.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -768.910678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.910678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.910678 (E_RNA) where: Base-Base interactions energy: -437.970 where: short stacking energy: -201.722 Base-Backbone interact. energy: -1.862 local terms energy: -329.078620 where: bonds (distance) C4'-P energy: -89.073 bonds (distance) P-C4' energy: -89.233 flat angles C4'-P-C4' energy: -78.053 flat angles P-C4'-P energy: -53.704 tors. eta vs tors. theta energy: -19.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -634.117381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.117381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.117381 (E_RNA) where: Base-Base interactions energy: -321.556 where: short stacking energy: -179.579 Base-Backbone interact. energy: -3.730 local terms energy: -308.831182 where: bonds (distance) C4'-P energy: -88.746 bonds (distance) P-C4' energy: -75.114 flat angles C4'-P-C4' energy: -82.950 flat angles P-C4'-P energy: -46.187 tors. eta vs tors. theta energy: -15.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -562.473000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.473000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.473000 (E_RNA) where: Base-Base interactions energy: -275.145 where: short stacking energy: -139.594 Base-Backbone interact. energy: 0.734 local terms energy: -288.061972 where: bonds (distance) C4'-P energy: -85.131 bonds (distance) P-C4' energy: -87.548 flat angles C4'-P-C4' energy: -60.491 flat angles P-C4'-P energy: -51.989 tors. eta vs tors. theta energy: -2.903 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: 118 Temperature: 0.900000 Total energy: -1700.845780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.845780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.845780 (E_RNA) where: Base-Base interactions energy: -1154.913 where: short stacking energy: -518.924 Base-Backbone interact. energy: -2.241 local terms energy: -543.691648 where: bonds (distance) C4'-P energy: -103.912 bonds (distance) P-C4' energy: -105.638 flat angles C4'-P-C4' energy: -111.615 flat angles P-C4'-P energy: -77.319 tors. eta vs tors. theta energy: -145.207 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: 2, replica: 6 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1658.335156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.335156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.335156 (E_RNA) where: Base-Base interactions energy: -1141.029 where: short stacking energy: -498.949 Base-Backbone interact. energy: -1.203 local terms energy: -516.102588 where: bonds (distance) C4'-P energy: -95.626 bonds (distance) P-C4' energy: -96.743 flat angles C4'-P-C4' energy: -98.404 flat angles P-C4'-P energy: -74.515 tors. eta vs tors. theta energy: -150.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1603.118235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.118235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.118235 (E_RNA) where: Base-Base interactions energy: -1117.798 where: short stacking energy: -468.164 Base-Backbone interact. energy: 2.021 local terms energy: -487.341665 where: bonds (distance) C4'-P energy: -98.548 bonds (distance) P-C4' energy: -89.313 flat angles C4'-P-C4' energy: -101.095 flat angles P-C4'-P energy: -66.195 tors. eta vs tors. theta energy: -132.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1471.638290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.638290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.638290 (E_RNA) where: Base-Base interactions energy: -1054.283 where: short stacking energy: -423.130 Base-Backbone interact. energy: -0.654 local terms energy: -416.701584 where: bonds (distance) C4'-P energy: -71.252 bonds (distance) P-C4' energy: -83.947 flat angles C4'-P-C4' energy: -93.825 flat angles P-C4'-P energy: -55.792 tors. eta vs tors. theta energy: -111.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1283.840783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.840783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.840783 (E_RNA) where: Base-Base interactions energy: -845.134 where: short stacking energy: -379.022 Base-Backbone interact. energy: -1.273 local terms energy: -437.432957 where: bonds (distance) C4'-P energy: -73.668 bonds (distance) P-C4' energy: -86.699 flat angles C4'-P-C4' energy: -102.896 flat angles P-C4'-P energy: -71.645 tors. eta vs tors. theta energy: -102.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1250.891904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.891904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.891904 (E_RNA) where: Base-Base interactions energy: -809.645 where: short stacking energy: -336.800 Base-Backbone interact. energy: -3.536 local terms energy: -437.711544 where: bonds (distance) C4'-P energy: -95.295 bonds (distance) P-C4' energy: -94.078 flat angles C4'-P-C4' energy: -95.257 flat angles P-C4'-P energy: -55.147 tors. eta vs tors. theta energy: -97.934 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: 7 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1009.361427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.361427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.361427 (E_RNA) where: Base-Base interactions energy: -631.173 where: short stacking energy: -304.355 Base-Backbone interact. energy: -1.331 local terms energy: -376.858205 where: bonds (distance) C4'-P energy: -97.874 bonds (distance) P-C4' energy: -73.578 flat angles C4'-P-C4' energy: -84.286 flat angles P-C4'-P energy: -57.766 tors. eta vs tors. theta energy: -63.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -773.708776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.708776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.708776 (E_RNA) where: Base-Base interactions energy: -450.469 where: short stacking energy: -213.017 Base-Backbone interact. energy: -0.450 local terms energy: -322.789740 where: bonds (distance) C4'-P energy: -83.524 bonds (distance) P-C4' energy: -84.712 flat angles C4'-P-C4' energy: -80.720 flat angles P-C4'-P energy: -49.203 tors. eta vs tors. theta energy: -24.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -685.990704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.990704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.990704 (E_RNA) where: Base-Base interactions energy: -402.414 where: short stacking energy: -184.237 Base-Backbone interact. energy: -0.949 local terms energy: -282.627569 where: bonds (distance) C4'-P energy: -74.420 bonds (distance) P-C4' energy: -91.414 flat angles C4'-P-C4' energy: -75.586 flat angles P-C4'-P energy: -34.683 tors. eta vs tors. theta energy: -6.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -621.156435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.156435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.156435 (E_RNA) where: Base-Base interactions energy: -334.224 where: short stacking energy: -176.936 Base-Backbone interact. energy: -0.260 local terms energy: -286.671836 where: bonds (distance) C4'-P energy: -79.318 bonds (distance) P-C4' energy: -74.258 flat angles C4'-P-C4' energy: -59.434 flat angles P-C4'-P energy: -60.928 tors. eta vs tors. theta energy: -12.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1710.495705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.495705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.495705 (E_RNA) where: Base-Base interactions energy: -1170.344 where: short stacking energy: -531.225 Base-Backbone interact. energy: -1.756 local terms energy: -538.395634 where: bonds (distance) C4'-P energy: -87.229 bonds (distance) P-C4' energy: -106.836 flat angles C4'-P-C4' energy: -120.731 flat angles P-C4'-P energy: -76.429 tors. eta vs tors. theta energy: -147.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1637.312378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.312378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.312378 (E_RNA) where: Base-Base interactions energy: -1105.306 where: short stacking energy: -515.752 Base-Backbone interact. energy: -1.258 local terms energy: -530.748426 where: bonds (distance) C4'-P energy: -90.834 bonds (distance) P-C4' energy: -97.413 flat angles C4'-P-C4' energy: -111.573 flat angles P-C4'-P energy: -74.639 tors. eta vs tors. theta energy: -156.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1576.342721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.342721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.342721 (E_RNA) where: Base-Base interactions energy: -1104.056 where: short stacking energy: -486.004 Base-Backbone interact. energy: -2.123 local terms energy: -470.164213 where: bonds (distance) C4'-P energy: -74.637 bonds (distance) P-C4' energy: -95.812 flat angles C4'-P-C4' energy: -105.036 flat angles P-C4'-P energy: -63.275 tors. eta vs tors. theta energy: -131.403 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: 10 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1493.546700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.546700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.546700 (E_RNA) where: Base-Base interactions energy: -1019.605 where: short stacking energy: -420.980 Base-Backbone interact. energy: -1.728 local terms energy: -472.213523 where: bonds (distance) C4'-P energy: -96.272 bonds (distance) P-C4' energy: -89.503 flat angles C4'-P-C4' energy: -100.821 flat angles P-C4'-P energy: -64.055 tors. eta vs tors. theta energy: -121.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1289.711291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.711291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.711291 (E_RNA) where: Base-Base interactions energy: -883.746 where: short stacking energy: -375.053 Base-Backbone interact. energy: -0.675 local terms energy: -405.290813 where: bonds (distance) C4'-P energy: -79.401 bonds (distance) P-C4' energy: -87.946 flat angles C4'-P-C4' energy: -80.243 flat angles P-C4'-P energy: -53.799 tors. eta vs tors. theta energy: -103.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1232.911180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.911180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.911180 (E_RNA) where: Base-Base interactions energy: -828.914 where: short stacking energy: -364.695 Base-Backbone interact. energy: -3.183 local terms energy: -400.815056 where: bonds (distance) C4'-P energy: -82.291 bonds (distance) P-C4' energy: -74.374 flat angles C4'-P-C4' energy: -87.636 flat angles P-C4'-P energy: -66.874 tors. eta vs tors. theta energy: -89.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1037.812053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.812053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.812053 (E_RNA) where: Base-Base interactions energy: -672.089 where: short stacking energy: -309.422 Base-Backbone interact. energy: -2.331 local terms energy: -363.391886 where: bonds (distance) C4'-P energy: -84.440 bonds (distance) P-C4' energy: -85.905 flat angles C4'-P-C4' energy: -80.118 flat angles P-C4'-P energy: -51.135 tors. eta vs tors. theta energy: -61.794 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: 1 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -716.285313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.285313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.285313 (E_RNA) where: Base-Base interactions energy: -393.434 where: short stacking energy: -203.466 Base-Backbone interact. energy: 1.581 local terms energy: -324.432867 where: bonds (distance) C4'-P energy: -74.613 bonds (distance) P-C4' energy: -78.457 flat angles C4'-P-C4' energy: -77.423 flat angles P-C4'-P energy: -69.756 tors. eta vs tors. theta energy: -24.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -703.751668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.751668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.751668 (E_RNA) where: Base-Base interactions energy: -412.522 where: short stacking energy: -225.202 Base-Backbone interact. energy: -1.109 local terms energy: -290.121106 where: bonds (distance) C4'-P energy: -72.719 bonds (distance) P-C4' energy: -84.753 flat angles C4'-P-C4' energy: -70.084 flat angles P-C4'-P energy: -34.502 tors. eta vs tors. theta energy: -28.064 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: 10, replica: 9 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -564.420268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.420268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.420268 (E_RNA) where: Base-Base interactions energy: -281.946 where: short stacking energy: -130.977 Base-Backbone interact. energy: 3.973 local terms energy: -286.447109 where: bonds (distance) C4'-P energy: -78.141 bonds (distance) P-C4' energy: -85.118 flat angles C4'-P-C4' energy: -74.994 flat angles P-C4'-P energy: -54.812 tors. eta vs tors. theta energy: 6.618 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: 1, replica: 8 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1704.834866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.834866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.834866 (E_RNA) where: Base-Base interactions energy: -1192.894 where: short stacking energy: -521.089 Base-Backbone interact. energy: -1.967 local terms energy: -509.974223 where: bonds (distance) C4'-P energy: -92.773 bonds (distance) P-C4' energy: -96.337 flat angles C4'-P-C4' energy: -104.894 flat angles P-C4'-P energy: -72.286 tors. eta vs tors. theta energy: -143.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1668.137732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.137732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.137732 (E_RNA) where: Base-Base interactions energy: -1133.462 where: short stacking energy: -518.067 Base-Backbone interact. energy: 0.351 local terms energy: -535.026645 where: bonds (distance) C4'-P energy: -99.675 bonds (distance) P-C4' energy: -99.359 flat angles C4'-P-C4' energy: -115.596 flat angles P-C4'-P energy: -66.409 tors. eta vs tors. theta energy: -153.988 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: 3, replica: 2 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1594.837603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.837603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.837603 (E_RNA) where: Base-Base interactions energy: -1103.865 where: short stacking energy: -478.320 Base-Backbone interact. energy: -2.495 local terms energy: -488.477539 where: bonds (distance) C4'-P energy: -93.994 bonds (distance) P-C4' energy: -91.607 flat angles C4'-P-C4' energy: -101.607 flat angles P-C4'-P energy: -60.693 tors. eta vs tors. theta energy: -140.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1488.236141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.236141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.236141 (E_RNA) where: Base-Base interactions energy: -1005.842 where: short stacking energy: -427.028 Base-Backbone interact. energy: 1.152 local terms energy: -483.546148 where: bonds (distance) C4'-P energy: -92.267 bonds (distance) P-C4' energy: -90.918 flat angles C4'-P-C4' energy: -100.100 flat angles P-C4'-P energy: -73.912 tors. eta vs tors. theta energy: -126.349 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: 4 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1293.732430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.732430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.732430 (E_RNA) where: Base-Base interactions energy: -862.119 where: short stacking energy: -388.900 Base-Backbone interact. energy: -3.516 local terms energy: -428.098212 where: bonds (distance) C4'-P energy: -80.521 bonds (distance) P-C4' energy: -85.953 flat angles C4'-P-C4' energy: -93.979 flat angles P-C4'-P energy: -71.613 tors. eta vs tors. theta energy: -96.033 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: 3 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1235.719259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.719259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.719259 (E_RNA) where: Base-Base interactions energy: -807.002 where: short stacking energy: -367.298 Base-Backbone interact. energy: -2.259 local terms energy: -426.457967 where: bonds (distance) C4'-P energy: -77.613 bonds (distance) P-C4' energy: -87.991 flat angles C4'-P-C4' energy: -98.781 flat angles P-C4'-P energy: -61.437 tors. eta vs tors. theta energy: -100.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1002.094887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.094887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.094887 (E_RNA) where: Base-Base interactions energy: -648.790 where: short stacking energy: -301.334 Base-Backbone interact. energy: 0.598 local terms energy: -353.903761 where: bonds (distance) C4'-P energy: -84.047 bonds (distance) P-C4' energy: -72.955 flat angles C4'-P-C4' energy: -79.400 flat angles P-C4'-P energy: -46.481 tors. eta vs tors. theta energy: -71.021 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: 120 Temperature: 1.250000 Total energy: -708.364126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.364126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.364126 (E_RNA) where: Base-Base interactions energy: -410.736 where: short stacking energy: -225.689 Base-Backbone interact. energy: 2.187 local terms energy: -299.816008 where: bonds (distance) C4'-P energy: -65.821 bonds (distance) P-C4' energy: -74.145 flat angles C4'-P-C4' energy: -86.648 flat angles P-C4'-P energy: -48.996 tors. eta vs tors. theta energy: -24.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -742.519209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.519209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.519209 (E_RNA) where: Base-Base interactions energy: -448.237 where: short stacking energy: -217.489 Base-Backbone interact. energy: -2.346 local terms energy: -291.936425 where: bonds (distance) C4'-P energy: -90.173 bonds (distance) P-C4' energy: -69.952 flat angles C4'-P-C4' energy: -70.289 flat angles P-C4'-P energy: -32.282 tors. eta vs tors. theta energy: -29.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -545.136201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.136201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.136201 (E_RNA) where: Base-Base interactions energy: -265.694 where: short stacking energy: -141.742 Base-Backbone interact. energy: -1.538 local terms energy: -277.904243 where: bonds (distance) C4'-P energy: -76.636 bonds (distance) P-C4' energy: -88.437 flat angles C4'-P-C4' energy: -79.212 flat angles P-C4'-P energy: -38.586 tors. eta vs tors. theta energy: 4.966 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: 121 Temperature: 0.900000 Total energy: -1711.325609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.325609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.325609 (E_RNA) where: Base-Base interactions energy: -1195.913 where: short stacking energy: -523.874 Base-Backbone interact. energy: -2.574 local terms energy: -512.838752 where: bonds (distance) C4'-P energy: -97.801 bonds (distance) P-C4' energy: -91.118 flat angles C4'-P-C4' energy: -107.927 flat angles P-C4'-P energy: -66.534 tors. eta vs tors. theta energy: -149.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1658.341111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.341111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.341111 (E_RNA) where: Base-Base interactions energy: -1134.505 where: short stacking energy: -510.659 Base-Backbone interact. energy: -0.770 local terms energy: -523.066109 where: bonds (distance) C4'-P energy: -97.256 bonds (distance) P-C4' energy: -93.209 flat angles C4'-P-C4' energy: -112.500 flat angles P-C4'-P energy: -77.335 tors. eta vs tors. theta energy: -142.765 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: 121 Temperature: 1.000000 Total energy: -1554.425985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.425985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.425985 (E_RNA) where: Base-Base interactions energy: -1068.686 where: short stacking energy: -477.170 Base-Backbone interact. energy: 0.060 local terms energy: -485.799392 where: bonds (distance) C4'-P energy: -76.147 bonds (distance) P-C4' energy: -92.893 flat angles C4'-P-C4' energy: -108.396 flat angles P-C4'-P energy: -71.247 tors. eta vs tors. theta energy: -137.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1521.664987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.664987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.664987 (E_RNA) where: Base-Base interactions energy: -1077.177 where: short stacking energy: -434.476 Base-Backbone interact. energy: -0.986 local terms energy: -443.501355 where: bonds (distance) C4'-P energy: -87.836 bonds (distance) P-C4' energy: -81.472 flat angles C4'-P-C4' energy: -93.729 flat angles P-C4'-P energy: -55.149 tors. eta vs tors. theta energy: -125.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1347.613254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.613254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.613254 (E_RNA) where: Base-Base interactions energy: -899.341 where: short stacking energy: -400.625 Base-Backbone interact. energy: -2.491 local terms energy: -445.780497 where: bonds (distance) C4'-P energy: -81.035 bonds (distance) P-C4' energy: -100.103 flat angles C4'-P-C4' energy: -85.785 flat angles P-C4'-P energy: -62.125 tors. eta vs tors. theta energy: -116.733 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: 6, replica: 3 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1283.296620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.296620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.296620 (E_RNA) where: Base-Base interactions energy: -868.415 where: short stacking energy: -380.323 Base-Backbone interact. energy: -3.165 local terms energy: -411.715872 where: bonds (distance) C4'-P energy: -73.961 bonds (distance) P-C4' energy: -77.408 flat angles C4'-P-C4' energy: -99.045 flat angles P-C4'-P energy: -58.310 tors. eta vs tors. theta energy: -102.993 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: 7 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1006.422973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.422973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.422973 (E_RNA) where: Base-Base interactions energy: -606.150 where: short stacking energy: -286.132 Base-Backbone interact. energy: -0.027 local terms energy: -400.245814 where: bonds (distance) C4'-P energy: -85.380 bonds (distance) P-C4' energy: -90.114 flat angles C4'-P-C4' energy: -92.633 flat angles P-C4'-P energy: -64.649 tors. eta vs tors. theta energy: -67.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -756.529385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.529385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.529385 (E_RNA) where: Base-Base interactions energy: -438.550 where: short stacking energy: -224.676 Base-Backbone interact. energy: 3.913 local terms energy: -321.892574 where: bonds (distance) C4'-P energy: -76.799 bonds (distance) P-C4' energy: -78.772 flat angles C4'-P-C4' energy: -70.902 flat angles P-C4'-P energy: -62.537 tors. eta vs tors. theta energy: -32.883 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: 1 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -664.653920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.653920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.653920 (E_RNA) where: Base-Base interactions energy: -383.975 where: short stacking energy: -221.300 Base-Backbone interact. energy: 0.251 local terms energy: -280.930360 where: bonds (distance) C4'-P energy: -66.753 bonds (distance) P-C4' energy: -84.614 flat angles C4'-P-C4' energy: -70.105 flat angles P-C4'-P energy: -43.226 tors. eta vs tors. theta energy: -16.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -560.503936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.503936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.503936 (E_RNA) where: Base-Base interactions energy: -280.199 where: short stacking energy: -151.031 Base-Backbone interact. energy: -2.678 local terms energy: -277.627002 where: bonds (distance) C4'-P energy: -63.517 bonds (distance) P-C4' energy: -96.490 flat angles C4'-P-C4' energy: -70.485 flat angles P-C4'-P energy: -45.869 tors. eta vs tors. theta energy: -1.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1743.500484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.500484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.500484 (E_RNA) where: Base-Base interactions energy: -1202.536 where: short stacking energy: -520.459 Base-Backbone interact. energy: -3.592 local terms energy: -537.373151 where: bonds (distance) C4'-P energy: -96.419 bonds (distance) P-C4' energy: -108.733 flat angles C4'-P-C4' energy: -107.913 flat angles P-C4'-P energy: -73.095 tors. eta vs tors. theta energy: -151.214 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: 6 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1664.026792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.026792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.026792 (E_RNA) where: Base-Base interactions energy: -1157.487 where: short stacking energy: -534.569 Base-Backbone interact. energy: -1.247 local terms energy: -505.292667 where: bonds (distance) C4'-P energy: -78.956 bonds (distance) P-C4' energy: -85.390 flat angles C4'-P-C4' energy: -110.963 flat angles P-C4'-P energy: -66.292 tors. eta vs tors. theta energy: -163.691 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: 122 Temperature: 1.000000 Total energy: -1563.919172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.919172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.919172 (E_RNA) where: Base-Base interactions energy: -1087.400 where: short stacking energy: -491.930 Base-Backbone interact. energy: 3.161 local terms energy: -479.680003 where: bonds (distance) C4'-P energy: -85.965 bonds (distance) P-C4' energy: -81.154 flat angles C4'-P-C4' energy: -96.132 flat angles P-C4'-P energy: -69.680 tors. eta vs tors. theta energy: -146.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1497.165666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.165666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.165666 (E_RNA) where: Base-Base interactions energy: -1039.613 where: short stacking energy: -419.607 Base-Backbone interact. energy: 0.853 local terms energy: -458.405226 where: bonds (distance) C4'-P energy: -88.558 bonds (distance) P-C4' energy: -81.298 flat angles C4'-P-C4' energy: -100.812 flat angles P-C4'-P energy: -73.405 tors. eta vs tors. theta energy: -114.333 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: 4 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1341.024107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.024107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.024107 (E_RNA) where: Base-Base interactions energy: -884.497 where: short stacking energy: -395.324 Base-Backbone interact. energy: -1.043 local terms energy: -455.484307 where: bonds (distance) C4'-P energy: -99.109 bonds (distance) P-C4' energy: -89.362 flat angles C4'-P-C4' energy: -91.110 flat angles P-C4'-P energy: -66.810 tors. eta vs tors. theta energy: -109.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1234.785567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.785567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.785567 (E_RNA) where: Base-Base interactions energy: -825.344 where: short stacking energy: -376.344 Base-Backbone interact. energy: 0.795 local terms energy: -410.237230 where: bonds (distance) C4'-P energy: -73.499 bonds (distance) P-C4' energy: -90.294 flat angles C4'-P-C4' energy: -85.060 flat angles P-C4'-P energy: -59.469 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: 7, replica: 7 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -940.404829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.404829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.404829 (E_RNA) where: Base-Base interactions energy: -590.629 where: short stacking energy: -277.212 Base-Backbone interact. energy: -0.240 local terms energy: -349.536094 where: bonds (distance) C4'-P energy: -77.625 bonds (distance) P-C4' energy: -85.401 flat angles C4'-P-C4' energy: -83.437 flat angles P-C4'-P energy: -63.062 tors. eta vs tors. theta energy: -40.011 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: 5 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -762.699188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.699188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.699188 (E_RNA) where: Base-Base interactions energy: -437.758 where: short stacking energy: -236.413 Base-Backbone interact. energy: -1.815 local terms energy: -323.127140 where: bonds (distance) C4'-P energy: -92.909 bonds (distance) P-C4' energy: -78.757 flat angles C4'-P-C4' energy: -79.739 flat angles P-C4'-P energy: -43.709 tors. eta vs tors. theta energy: -28.013 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: 1 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -654.623334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.623334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.623334 (E_RNA) where: Base-Base interactions energy: -353.075 where: short stacking energy: -192.134 Base-Backbone interact. energy: 1.686 local terms energy: -303.234580 where: bonds (distance) C4'-P energy: -84.354 bonds (distance) P-C4' energy: -73.480 flat angles C4'-P-C4' energy: -72.117 flat angles P-C4'-P energy: -45.280 tors. eta vs tors. theta energy: -28.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -551.943143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.943143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.943143 (E_RNA) where: Base-Base interactions energy: -284.033 where: short stacking energy: -161.122 Base-Backbone interact. energy: 0.237 local terms energy: -268.146840 where: bonds (distance) C4'-P energy: -71.560 bonds (distance) P-C4' energy: -86.223 flat angles C4'-P-C4' energy: -70.751 flat angles P-C4'-P energy: -34.574 tors. eta vs tors. theta energy: -5.040 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: 8 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1708.985003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.985003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.985003 (E_RNA) where: Base-Base interactions energy: -1189.808 where: short stacking energy: -521.885 Base-Backbone interact. energy: -1.834 local terms energy: -517.343320 where: bonds (distance) C4'-P energy: -94.546 bonds (distance) P-C4' energy: -102.162 flat angles C4'-P-C4' energy: -103.596 flat angles P-C4'-P energy: -74.514 tors. eta vs tors. theta energy: -142.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1672.352850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.352850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.352850 (E_RNA) where: Base-Base interactions energy: -1133.155 where: short stacking energy: -508.336 Base-Backbone interact. energy: -0.852 local terms energy: -538.345563 where: bonds (distance) C4'-P energy: -84.527 bonds (distance) P-C4' energy: -96.089 flat angles C4'-P-C4' energy: -114.945 flat angles P-C4'-P energy: -79.149 tors. eta vs tors. theta energy: -163.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1540.888478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.888478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.888478 (E_RNA) where: Base-Base interactions energy: -1039.065 where: short stacking energy: -443.531 Base-Backbone interact. energy: -2.472 local terms energy: -499.350778 where: bonds (distance) C4'-P energy: -97.957 bonds (distance) P-C4' energy: -83.691 flat angles C4'-P-C4' energy: -103.535 flat angles P-C4'-P energy: -75.882 tors. eta vs tors. theta energy: -138.285 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: 123 Temperature: 1.050000 Total energy: -1537.641214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.641214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.641214 (E_RNA) where: Base-Base interactions energy: -1064.996 where: short stacking energy: -423.329 Base-Backbone interact. energy: -1.054 local terms energy: -471.591180 where: bonds (distance) C4'-P energy: -84.624 bonds (distance) P-C4' energy: -91.159 flat angles C4'-P-C4' energy: -109.695 flat angles P-C4'-P energy: -67.637 tors. eta vs tors. theta energy: -118.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1316.737674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.737674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.737674 (E_RNA) where: Base-Base interactions energy: -853.269 where: short stacking energy: -399.137 Base-Backbone interact. energy: -2.988 local terms energy: -460.480373 where: bonds (distance) C4'-P energy: -91.825 bonds (distance) P-C4' energy: -93.766 flat angles C4'-P-C4' energy: -94.315 flat angles P-C4'-P energy: -66.715 tors. eta vs tors. theta energy: -113.860 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: 3 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1294.470503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.470503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.470503 (E_RNA) where: Base-Base interactions energy: -883.756 where: short stacking energy: -374.993 Base-Backbone interact. energy: 0.198 local terms energy: -410.912270 where: bonds (distance) C4'-P energy: -69.422 bonds (distance) P-C4' energy: -82.836 flat angles C4'-P-C4' energy: -97.539 flat angles P-C4'-P energy: -54.436 tors. eta vs tors. theta energy: -106.679 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: 7 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -945.373983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.373983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.373983 (E_RNA) where: Base-Base interactions energy: -597.994 where: short stacking energy: -269.002 Base-Backbone interact. energy: -1.242 local terms energy: -346.137725 where: bonds (distance) C4'-P energy: -65.746 bonds (distance) P-C4' energy: -90.224 flat angles C4'-P-C4' energy: -87.887 flat angles P-C4'-P energy: -52.594 tors. eta vs tors. theta energy: -49.687 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: 1 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -712.912711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.912711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.912711 (E_RNA) where: Base-Base interactions energy: -395.215 where: short stacking energy: -183.520 Base-Backbone interact. energy: -0.575 local terms energy: -317.122813 where: bonds (distance) C4'-P energy: -75.298 bonds (distance) P-C4' energy: -72.010 flat angles C4'-P-C4' energy: -91.792 flat angles P-C4'-P energy: -62.032 tors. eta vs tors. theta energy: -15.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -734.860808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.860808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.860808 (E_RNA) where: Base-Base interactions energy: -422.168 where: short stacking energy: -200.032 Base-Backbone interact. energy: -0.516 local terms energy: -312.176569 where: bonds (distance) C4'-P energy: -82.946 bonds (distance) P-C4' energy: -79.939 flat angles C4'-P-C4' energy: -67.565 flat angles P-C4'-P energy: -55.231 tors. eta vs tors. theta energy: -26.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -574.329808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.329808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.329808 (E_RNA) where: Base-Base interactions energy: -292.673 where: short stacking energy: -166.910 Base-Backbone interact. energy: -1.909 local terms energy: -279.747087 where: bonds (distance) C4'-P energy: -79.420 bonds (distance) P-C4' energy: -77.653 flat angles C4'-P-C4' energy: -65.348 flat angles P-C4'-P energy: -45.293 tors. eta vs tors. theta energy: -12.033 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: 124 Temperature: 0.900000 Total energy: -1722.679109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.679109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.679109 (E_RNA) where: Base-Base interactions energy: -1201.152 where: short stacking energy: -521.253 Base-Backbone interact. energy: 1.624 local terms energy: -523.151066 where: bonds (distance) C4'-P energy: -94.804 bonds (distance) P-C4' energy: -100.277 flat angles C4'-P-C4' energy: -107.200 flat angles P-C4'-P energy: -78.226 tors. eta vs tors. theta energy: -142.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1685.990051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.990051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.990051 (E_RNA) where: Base-Base interactions energy: -1153.295 where: short stacking energy: -522.433 Base-Backbone interact. energy: 1.983 local terms energy: -534.677641 where: bonds (distance) C4'-P energy: -87.933 bonds (distance) P-C4' energy: -99.015 flat angles C4'-P-C4' energy: -109.033 flat angles P-C4'-P energy: -79.401 tors. eta vs tors. theta energy: -159.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1533.603128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.603128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.603128 (E_RNA) where: Base-Base interactions energy: -1042.900 where: short stacking energy: -444.711 Base-Backbone interact. energy: -1.344 local terms energy: -489.358745 where: bonds (distance) C4'-P energy: -101.299 bonds (distance) P-C4' energy: -88.080 flat angles C4'-P-C4' energy: -99.216 flat angles P-C4'-P energy: -70.714 tors. eta vs tors. theta energy: -130.051 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: 4, replica: 10 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1523.634870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.634870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.634870 (E_RNA) where: Base-Base interactions energy: -1045.382 where: short stacking energy: -451.938 Base-Backbone interact. energy: 0.015 local terms energy: -478.267931 where: bonds (distance) C4'-P energy: -96.251 bonds (distance) P-C4' energy: -90.444 flat angles C4'-P-C4' energy: -97.928 flat angles P-C4'-P energy: -71.740 tors. eta vs tors. theta energy: -121.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1337.113583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.113583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.113583 (E_RNA) where: Base-Base interactions energy: -906.282 where: short stacking energy: -401.090 Base-Backbone interact. energy: -3.268 local terms energy: -427.563205 where: bonds (distance) C4'-P energy: -92.386 bonds (distance) P-C4' energy: -82.492 flat angles C4'-P-C4' energy: -94.756 flat angles P-C4'-P energy: -51.553 tors. eta vs tors. theta energy: -106.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1267.419406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.419406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.419406 (E_RNA) where: Base-Base interactions energy: -847.210 where: short stacking energy: -380.330 Base-Backbone interact. energy: -0.445 local terms energy: -419.765146 where: bonds (distance) C4'-P energy: -90.533 bonds (distance) P-C4' energy: -78.601 flat angles C4'-P-C4' energy: -98.575 flat angles P-C4'-P energy: -50.897 tors. eta vs tors. theta energy: -101.158 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: 7 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -920.523929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.523929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.523929 (E_RNA) where: Base-Base interactions energy: -568.314 where: short stacking energy: -281.906 Base-Backbone interact. energy: -0.288 local terms energy: -351.921962 where: bonds (distance) C4'-P energy: -88.745 bonds (distance) P-C4' energy: -74.391 flat angles C4'-P-C4' energy: -81.076 flat angles P-C4'-P energy: -56.137 tors. eta vs tors. theta energy: -51.573 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: 8, replica: 1 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -729.511071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.511071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.511071 (E_RNA) where: Base-Base interactions energy: -433.130 where: short stacking energy: -236.857 Base-Backbone interact. energy: 1.313 local terms energy: -297.694824 where: bonds (distance) C4'-P energy: -86.665 bonds (distance) P-C4' energy: -60.461 flat angles C4'-P-C4' energy: -76.263 flat angles P-C4'-P energy: -46.220 tors. eta vs tors. theta energy: -28.085 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: 9, replica: 5 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -774.006405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.006405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.006405 (E_RNA) where: Base-Base interactions energy: -499.440 where: short stacking energy: -251.560 Base-Backbone interact. energy: 1.490 local terms energy: -276.056284 where: bonds (distance) C4'-P energy: -65.248 bonds (distance) P-C4' energy: -77.312 flat angles C4'-P-C4' energy: -55.808 flat angles P-C4'-P energy: -46.930 tors. eta vs tors. theta energy: -30.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -560.751855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.751855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.751855 (E_RNA) where: Base-Base interactions energy: -283.871 where: short stacking energy: -149.166 Base-Backbone interact. energy: -2.228 local terms energy: -274.652688 where: bonds (distance) C4'-P energy: -76.885 bonds (distance) P-C4' energy: -74.318 flat angles C4'-P-C4' energy: -62.043 flat angles P-C4'-P energy: -37.847 tors. eta vs tors. theta energy: -23.559 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: 8 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1737.132473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.132473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.132473 (E_RNA) where: Base-Base interactions energy: -1203.229 where: short stacking energy: -531.967 Base-Backbone interact. energy: -3.291 local terms energy: -530.612855 where: bonds (distance) C4'-P energy: -96.482 bonds (distance) P-C4' energy: -100.696 flat angles C4'-P-C4' energy: -106.185 flat angles P-C4'-P energy: -74.827 tors. eta vs tors. theta energy: -152.424 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: 6 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1652.914443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.914443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.914443 (E_RNA) where: Base-Base interactions energy: -1111.515 where: short stacking energy: -523.672 Base-Backbone interact. energy: -0.169 local terms energy: -541.230419 where: bonds (distance) C4'-P energy: -95.542 bonds (distance) P-C4' energy: -101.089 flat angles C4'-P-C4' energy: -112.703 flat angles P-C4'-P energy: -77.182 tors. eta vs tors. theta energy: -154.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1555.752042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.752042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.752042 (E_RNA) where: Base-Base interactions energy: -1058.377 where: short stacking energy: -477.636 Base-Backbone interact. energy: -2.348 local terms energy: -495.026772 where: bonds (distance) C4'-P energy: -83.665 bonds (distance) P-C4' energy: -91.740 flat angles C4'-P-C4' energy: -105.461 flat angles P-C4'-P energy: -74.607 tors. eta vs tors. theta energy: -139.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1545.179262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.179262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.179262 (E_RNA) where: Base-Base interactions energy: -1082.468 where: short stacking energy: -461.127 Base-Backbone interact. energy: 0.108 local terms energy: -462.818942 where: bonds (distance) C4'-P energy: -95.962 bonds (distance) P-C4' energy: -76.183 flat angles C4'-P-C4' energy: -106.918 flat angles P-C4'-P energy: -54.195 tors. eta vs tors. theta energy: -129.561 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: 125 Temperature: 1.100000 Total energy: -1350.194490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.194490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.194490 (E_RNA) where: Base-Base interactions energy: -934.619 where: short stacking energy: -388.735 Base-Backbone interact. energy: 1.904 local terms energy: -417.479112 where: bonds (distance) C4'-P energy: -88.020 bonds (distance) P-C4' energy: -73.487 flat angles C4'-P-C4' energy: -98.196 flat angles P-C4'-P energy: -63.641 tors. eta vs tors. theta energy: -94.135 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: 3 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1229.590095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.590095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.590095 (E_RNA) where: Base-Base interactions energy: -802.970 where: short stacking energy: -359.960 Base-Backbone interact. energy: -1.206 local terms energy: -425.414147 where: bonds (distance) C4'-P energy: -81.161 bonds (distance) P-C4' energy: -84.406 flat angles C4'-P-C4' energy: -89.535 flat angles P-C4'-P energy: -69.880 tors. eta vs tors. theta energy: -100.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -872.665286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.665286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.665286 (E_RNA) where: Base-Base interactions energy: -512.225 where: short stacking energy: -231.754 Base-Backbone interact. energy: -2.458 local terms energy: -357.981801 where: bonds (distance) C4'-P energy: -92.399 bonds (distance) P-C4' energy: -86.447 flat angles C4'-P-C4' energy: -79.584 flat angles P-C4'-P energy: -56.655 tors. eta vs tors. theta energy: -42.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -819.785295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.785295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.785295 (E_RNA) where: Base-Base interactions energy: -515.683 where: short stacking energy: -238.924 Base-Backbone interact. energy: -0.312 local terms energy: -303.790653 where: bonds (distance) C4'-P energy: -77.318 bonds (distance) P-C4' energy: -89.071 flat angles C4'-P-C4' energy: -71.557 flat angles P-C4'-P energy: -48.779 tors. eta vs tors. theta energy: -17.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -722.405987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.405987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.405987 (E_RNA) where: Base-Base interactions energy: -413.209 where: short stacking energy: -212.304 Base-Backbone interact. energy: -2.566 local terms energy: -306.630992 where: bonds (distance) C4'-P energy: -68.459 bonds (distance) P-C4' energy: -71.819 flat angles C4'-P-C4' energy: -78.409 flat angles P-C4'-P energy: -62.326 tors. eta vs tors. theta energy: -25.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -554.358939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.358939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.358939 (E_RNA) where: Base-Base interactions energy: -303.665 where: short stacking energy: -149.405 Base-Backbone interact. energy: 0.296 local terms energy: -250.990071 where: bonds (distance) C4'-P energy: -59.905 bonds (distance) P-C4' energy: -79.948 flat angles C4'-P-C4' energy: -72.485 flat angles P-C4'-P energy: -36.243 tors. eta vs tors. theta energy: -2.409 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: 1, replica: 8 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1722.325392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.325392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.325392 (E_RNA) where: Base-Base interactions energy: -1195.096 where: short stacking energy: -516.240 Base-Backbone interact. energy: -1.984 local terms energy: -525.245578 where: bonds (distance) C4'-P energy: -91.145 bonds (distance) P-C4' energy: -108.785 flat angles C4'-P-C4' energy: -111.786 flat angles P-C4'-P energy: -73.093 tors. eta vs tors. theta energy: -140.437 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: 6 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1672.635177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.635177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.635177 (E_RNA) where: Base-Base interactions energy: -1134.462 where: short stacking energy: -519.014 Base-Backbone interact. energy: -1.162 local terms energy: -537.011358 where: bonds (distance) C4'-P energy: -97.795 bonds (distance) P-C4' energy: -95.972 flat angles C4'-P-C4' energy: -114.806 flat angles P-C4'-P energy: -73.009 tors. eta vs tors. theta energy: -155.430 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: 3, replica: 10 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1600.685964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.685964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.685964 (E_RNA) where: Base-Base interactions energy: -1132.524 where: short stacking energy: -455.117 Base-Backbone interact. energy: 4.607 local terms energy: -472.769541 where: bonds (distance) C4'-P energy: -89.963 bonds (distance) P-C4' energy: -99.349 flat angles C4'-P-C4' energy: -103.745 flat angles P-C4'-P energy: -53.838 tors. eta vs tors. theta energy: -125.874 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: 2 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1508.889411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.889411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.889411 (E_RNA) where: Base-Base interactions energy: -1014.339 where: short stacking energy: -477.926 Base-Backbone interact. energy: -0.887 local terms energy: -493.663278 where: bonds (distance) C4'-P energy: -92.092 bonds (distance) P-C4' energy: -85.863 flat angles C4'-P-C4' energy: -108.469 flat angles P-C4'-P energy: -69.330 tors. eta vs tors. theta energy: -137.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1334.246621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.246621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.246621 (E_RNA) where: Base-Base interactions energy: -925.234 where: short stacking energy: -369.599 Base-Backbone interact. energy: -2.438 local terms energy: -406.574656 where: bonds (distance) C4'-P energy: -87.138 bonds (distance) P-C4' energy: -91.528 flat angles C4'-P-C4' energy: -94.757 flat angles P-C4'-P energy: -44.271 tors. eta vs tors. theta energy: -88.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1295.188924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.188924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.188924 (E_RNA) where: Base-Base interactions energy: -871.038 where: short stacking energy: -407.380 Base-Backbone interact. energy: -1.285 local terms energy: -422.866046 where: bonds (distance) C4'-P energy: -70.910 bonds (distance) P-C4' energy: -83.501 flat angles C4'-P-C4' energy: -90.405 flat angles P-C4'-P energy: -60.517 tors. eta vs tors. theta energy: -117.534 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: 7 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -928.717041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.717041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.717041 (E_RNA) where: Base-Base interactions energy: -571.714 where: short stacking energy: -283.354 Base-Backbone interact. energy: 1.236 local terms energy: -358.238503 where: bonds (distance) C4'-P energy: -87.474 bonds (distance) P-C4' energy: -86.713 flat angles C4'-P-C4' energy: -71.998 flat angles P-C4'-P energy: -62.733 tors. eta vs tors. theta energy: -49.320 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: 5 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -845.916692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.916692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.916692 (E_RNA) where: Base-Base interactions energy: -531.813 where: short stacking energy: -240.848 Base-Backbone interact. energy: -3.336 local terms energy: -310.767381 where: bonds (distance) C4'-P energy: -66.869 bonds (distance) P-C4' energy: -94.364 flat angles C4'-P-C4' energy: -82.818 flat angles P-C4'-P energy: -35.861 tors. eta vs tors. theta energy: -30.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -708.884399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.884399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.884399 (E_RNA) where: Base-Base interactions energy: -390.641 where: short stacking energy: -205.166 Base-Backbone interact. energy: 0.976 local terms energy: -319.218854 where: bonds (distance) C4'-P energy: -75.488 bonds (distance) P-C4' energy: -84.205 flat angles C4'-P-C4' energy: -77.166 flat angles P-C4'-P energy: -55.650 tors. eta vs tors. theta energy: -26.710 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: 9 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -610.592781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.592781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.592781 (E_RNA) where: Base-Base interactions energy: -318.957 where: short stacking energy: -175.391 Base-Backbone interact. energy: 0.853 local terms energy: -292.489321 where: bonds (distance) C4'-P energy: -93.106 bonds (distance) P-C4' energy: -80.700 flat angles C4'-P-C4' energy: -69.871 flat angles P-C4'-P energy: -40.991 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: 127 Temperature: 0.900000 Total energy: -1712.896629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.896629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.896629 (E_RNA) where: Base-Base interactions energy: -1212.259 where: short stacking energy: -524.500 Base-Backbone interact. energy: 2.563 local terms energy: -503.201213 where: bonds (distance) C4'-P energy: -93.535 bonds (distance) P-C4' energy: -88.840 flat angles C4'-P-C4' energy: -102.743 flat angles P-C4'-P energy: -74.347 tors. eta vs tors. theta energy: -143.738 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: 6 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1677.398054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.398054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.398054 (E_RNA) where: Base-Base interactions energy: -1145.113 where: short stacking energy: -504.036 Base-Backbone interact. energy: 0.874 local terms energy: -533.159333 where: bonds (distance) C4'-P energy: -96.370 bonds (distance) P-C4' energy: -97.599 flat angles C4'-P-C4' energy: -113.809 flat angles P-C4'-P energy: -69.329 tors. eta vs tors. theta energy: -156.053 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: 10 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1574.211114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.211114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.211114 (E_RNA) where: Base-Base interactions energy: -1099.788 where: short stacking energy: -455.853 Base-Backbone interact. energy: -4.184 local terms energy: -470.239443 where: bonds (distance) C4'-P energy: -82.766 bonds (distance) P-C4' energy: -91.081 flat angles C4'-P-C4' energy: -109.207 flat angles P-C4'-P energy: -57.850 tors. eta vs tors. theta energy: -129.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1537.227779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.227779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.227779 (E_RNA) where: Base-Base interactions energy: -1042.015 where: short stacking energy: -476.402 Base-Backbone interact. energy: -0.927 local terms energy: -494.286200 where: bonds (distance) C4'-P energy: -87.272 bonds (distance) P-C4' energy: -91.028 flat angles C4'-P-C4' energy: -109.089 flat angles P-C4'-P energy: -57.959 tors. eta vs tors. theta energy: -148.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1365.182275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.182275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.182275 (E_RNA) where: Base-Base interactions energy: -924.934 where: short stacking energy: -386.208 Base-Backbone interact. energy: 0.530 local terms energy: -440.778404 where: bonds (distance) C4'-P energy: -88.183 bonds (distance) P-C4' energy: -91.914 flat angles C4'-P-C4' energy: -95.169 flat angles P-C4'-P energy: -68.442 tors. eta vs tors. theta energy: -97.071 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: 6, replica: 3 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1270.207653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.207653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.207653 (E_RNA) where: Base-Base interactions energy: -859.150 where: short stacking energy: -355.616 Base-Backbone interact. energy: -1.853 local terms energy: -409.204475 where: bonds (distance) C4'-P energy: -69.131 bonds (distance) P-C4' energy: -86.505 flat angles C4'-P-C4' energy: -90.586 flat angles P-C4'-P energy: -65.322 tors. eta vs tors. theta energy: -97.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -921.903009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.903009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.903009 (E_RNA) where: Base-Base interactions energy: -555.959 where: short stacking energy: -272.848 Base-Backbone interact. energy: -2.119 local terms energy: -363.825468 where: bonds (distance) C4'-P energy: -79.214 bonds (distance) P-C4' energy: -84.590 flat angles C4'-P-C4' energy: -96.326 flat angles P-C4'-P energy: -38.678 tors. eta vs tors. theta energy: -65.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -831.025273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.025273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.025273 (E_RNA) where: Base-Base interactions energy: -508.198 where: short stacking energy: -240.889 Base-Backbone interact. energy: 1.789 local terms energy: -324.616461 where: bonds (distance) C4'-P energy: -75.068 bonds (distance) P-C4' energy: -83.292 flat angles C4'-P-C4' energy: -77.048 flat angles P-C4'-P energy: -55.363 tors. eta vs tors. theta energy: -33.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -685.590023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.590023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.590023 (E_RNA) where: Base-Base interactions energy: -391.396 where: short stacking energy: -202.877 Base-Backbone interact. energy: -2.828 local terms energy: -291.365472 where: bonds (distance) C4'-P energy: -62.843 bonds (distance) P-C4' energy: -83.691 flat angles C4'-P-C4' energy: -81.611 flat angles P-C4'-P energy: -40.001 tors. eta vs tors. theta energy: -23.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -590.339505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.339505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.339505 (E_RNA) where: Base-Base interactions energy: -314.356 where: short stacking energy: -157.706 Base-Backbone interact. energy: 0.549 local terms energy: -276.532923 where: bonds (distance) C4'-P energy: -67.424 bonds (distance) P-C4' energy: -86.207 flat angles C4'-P-C4' energy: -74.942 flat angles P-C4'-P energy: -35.835 tors. eta vs tors. theta energy: -12.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1715.112058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.112058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.112058 (E_RNA) where: Base-Base interactions energy: -1183.568 where: short stacking energy: -508.834 Base-Backbone interact. energy: -1.623 local terms energy: -529.921012 where: bonds (distance) C4'-P energy: -94.851 bonds (distance) P-C4' energy: -105.452 flat angles C4'-P-C4' energy: -110.677 flat angles P-C4'-P energy: -77.734 tors. eta vs tors. theta energy: -141.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1656.325902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.325902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.325902 (E_RNA) where: Base-Base interactions energy: -1121.814 where: short stacking energy: -497.168 Base-Backbone interact. energy: 2.585 local terms energy: -537.096653 where: bonds (distance) C4'-P energy: -105.267 bonds (distance) P-C4' energy: -96.500 flat angles C4'-P-C4' energy: -106.048 flat angles P-C4'-P energy: -68.952 tors. eta vs tors. theta energy: -160.329 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: 10 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1597.613407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.613407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.613407 (E_RNA) where: Base-Base interactions energy: -1124.543 where: short stacking energy: -460.045 Base-Backbone interact. energy: -2.023 local terms energy: -471.047630 where: bonds (distance) C4'-P energy: -80.321 bonds (distance) P-C4' energy: -98.595 flat angles C4'-P-C4' energy: -99.995 flat angles P-C4'-P energy: -65.282 tors. eta vs tors. theta energy: -126.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1510.756289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.756289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.756289 (E_RNA) where: Base-Base interactions energy: -1040.578 where: short stacking energy: -444.267 Base-Backbone interact. energy: -2.688 local terms energy: -467.489898 where: bonds (distance) C4'-P energy: -72.753 bonds (distance) P-C4' energy: -97.334 flat angles C4'-P-C4' energy: -107.757 flat angles P-C4'-P energy: -64.303 tors. eta vs tors. theta energy: -125.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1364.090926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.090926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.090926 (E_RNA) where: Base-Base interactions energy: -945.900 where: short stacking energy: -401.828 Base-Backbone interact. energy: -0.296 local terms energy: -417.894772 where: bonds (distance) C4'-P energy: -83.767 bonds (distance) P-C4' energy: -81.976 flat angles C4'-P-C4' energy: -90.542 flat angles P-C4'-P energy: -51.930 tors. eta vs tors. theta energy: -109.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1257.269086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.269086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.269086 (E_RNA) where: Base-Base interactions energy: -836.541 where: short stacking energy: -352.119 Base-Backbone interact. energy: 0.266 local terms energy: -420.993677 where: bonds (distance) C4'-P energy: -79.531 bonds (distance) P-C4' energy: -91.359 flat angles C4'-P-C4' energy: -85.832 flat angles P-C4'-P energy: -62.974 tors. eta vs tors. theta energy: -101.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -885.881783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.881783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.881783 (E_RNA) where: Base-Base interactions energy: -556.493 where: short stacking energy: -257.327 Base-Backbone interact. energy: -0.989 local terms energy: -328.400176 where: bonds (distance) C4'-P energy: -69.893 bonds (distance) P-C4' energy: -89.506 flat angles C4'-P-C4' energy: -78.042 flat angles P-C4'-P energy: -39.270 tors. eta vs tors. theta energy: -51.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -875.711753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.711753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.711753 (E_RNA) where: Base-Base interactions energy: -550.008 where: short stacking energy: -249.408 Base-Backbone interact. energy: 3.658 local terms energy: -329.362267 where: bonds (distance) C4'-P energy: -80.330 bonds (distance) P-C4' energy: -85.334 flat angles C4'-P-C4' energy: -78.677 flat angles P-C4'-P energy: -40.629 tors. eta vs tors. theta energy: -44.392 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: 1 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -727.976198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.976198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.976198 (E_RNA) where: Base-Base interactions energy: -431.922 where: short stacking energy: -217.478 Base-Backbone interact. energy: -0.383 local terms energy: -295.671496 where: bonds (distance) C4'-P energy: -58.970 bonds (distance) P-C4' energy: -88.538 flat angles C4'-P-C4' energy: -63.812 flat angles P-C4'-P energy: -56.327 tors. eta vs tors. theta energy: -28.024 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: 10, replica: 9 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -638.277962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.277962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.277962 (E_RNA) where: Base-Base interactions energy: -350.487 where: short stacking energy: -169.441 Base-Backbone interact. energy: 3.100 local terms energy: -290.890466 where: bonds (distance) C4'-P energy: -86.909 bonds (distance) P-C4' energy: -81.129 flat angles C4'-P-C4' energy: -61.186 flat angles P-C4'-P energy: -46.528 tors. eta vs tors. theta energy: -15.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1719.243841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.243841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.243841 (E_RNA) where: Base-Base interactions energy: -1195.600 where: short stacking energy: -505.651 Base-Backbone interact. energy: -2.829 local terms energy: -520.814806 where: bonds (distance) C4'-P energy: -91.137 bonds (distance) P-C4' energy: -102.498 flat angles C4'-P-C4' energy: -105.729 flat angles P-C4'-P energy: -80.072 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: 2, replica: 6 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1665.268607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.268607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.268607 (E_RNA) where: Base-Base interactions energy: -1130.689 where: short stacking energy: -515.136 Base-Backbone interact. energy: -2.128 local terms energy: -532.452022 where: bonds (distance) C4'-P energy: -87.910 bonds (distance) P-C4' energy: -101.610 flat angles C4'-P-C4' energy: -106.559 flat angles P-C4'-P energy: -78.388 tors. eta vs tors. theta energy: -157.986 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: 10 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1571.094227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.094227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.094227 (E_RNA) where: Base-Base interactions energy: -1081.327 where: short stacking energy: -432.681 Base-Backbone interact. energy: -0.415 local terms energy: -489.352423 where: bonds (distance) C4'-P energy: -84.214 bonds (distance) P-C4' energy: -110.073 flat angles C4'-P-C4' energy: -100.406 flat angles P-C4'-P energy: -73.337 tors. eta vs tors. theta energy: -121.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1520.479029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.479029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.479029 (E_RNA) where: Base-Base interactions energy: -1021.626 where: short stacking energy: -455.252 Base-Backbone interact. energy: -1.792 local terms energy: -497.061677 where: bonds (distance) C4'-P energy: -94.582 bonds (distance) P-C4' energy: -89.088 flat angles C4'-P-C4' energy: -107.974 flat angles P-C4'-P energy: -71.295 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: 5, replica: 4 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1353.427543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.427543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.427543 (E_RNA) where: Base-Base interactions energy: -920.855 where: short stacking energy: -370.919 Base-Backbone interact. energy: -1.429 local terms energy: -431.143453 where: bonds (distance) C4'-P energy: -85.584 bonds (distance) P-C4' energy: -95.997 flat angles C4'-P-C4' energy: -92.765 flat angles P-C4'-P energy: -58.832 tors. eta vs tors. theta energy: -97.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1216.100154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.100154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.100154 (E_RNA) where: Base-Base interactions energy: -797.863 where: short stacking energy: -343.961 Base-Backbone interact. energy: -2.948 local terms energy: -415.289493 where: bonds (distance) C4'-P energy: -79.754 bonds (distance) P-C4' energy: -83.160 flat angles C4'-P-C4' energy: -98.740 flat angles P-C4'-P energy: -59.701 tors. eta vs tors. theta energy: -93.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -887.921154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.921154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.921154 (E_RNA) where: Base-Base interactions energy: -555.923 where: short stacking energy: -257.964 Base-Backbone interact. energy: -2.538 local terms energy: -329.460737 where: bonds (distance) C4'-P energy: -84.118 bonds (distance) P-C4' energy: -90.413 flat angles C4'-P-C4' energy: -72.261 flat angles P-C4'-P energy: -53.304 tors. eta vs tors. theta energy: -29.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -903.451316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.451316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.451316 (E_RNA) where: Base-Base interactions energy: -575.323 where: short stacking energy: -282.407 Base-Backbone interact. energy: 0.193 local terms energy: -328.321123 where: bonds (distance) C4'-P energy: -68.258 bonds (distance) P-C4' energy: -85.546 flat angles C4'-P-C4' energy: -76.142 flat angles P-C4'-P energy: -48.385 tors. eta vs tors. theta energy: -49.990 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: 9, replica: 1 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -704.363438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.363438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.363438 (E_RNA) where: Base-Base interactions energy: -396.928 where: short stacking energy: -181.592 Base-Backbone interact. energy: -2.967 local terms energy: -304.467788 where: bonds (distance) C4'-P energy: -69.082 bonds (distance) P-C4' energy: -78.810 flat angles C4'-P-C4' energy: -83.823 flat angles P-C4'-P energy: -51.678 tors. eta vs tors. theta energy: -21.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -586.971962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.971962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.971962 (E_RNA) where: Base-Base interactions energy: -285.741 where: short stacking energy: -172.801 Base-Backbone interact. energy: -0.568 local terms energy: -300.662850 where: bonds (distance) C4'-P energy: -69.724 bonds (distance) P-C4' energy: -89.335 flat angles C4'-P-C4' energy: -78.752 flat angles P-C4'-P energy: -45.071 tors. eta vs tors. theta energy: -17.781 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: 8 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1705.848819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.848819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.848819 (E_RNA) where: Base-Base interactions energy: -1189.768 where: short stacking energy: -518.801 Base-Backbone interact. energy: -2.920 local terms energy: -513.160649 where: bonds (distance) C4'-P energy: -87.254 bonds (distance) P-C4' energy: -99.370 flat angles C4'-P-C4' energy: -108.103 flat angles P-C4'-P energy: -73.181 tors. eta vs tors. theta energy: -145.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1697.429452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.429452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.429452 (E_RNA) where: Base-Base interactions energy: -1167.826 where: short stacking energy: -528.293 Base-Backbone interact. energy: -1.433 local terms energy: -528.171155 where: bonds (distance) C4'-P energy: -101.487 bonds (distance) P-C4' energy: -92.216 flat angles C4'-P-C4' energy: -109.218 flat angles P-C4'-P energy: -65.355 tors. eta vs tors. theta energy: -159.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1547.359979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.359979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.359979 (E_RNA) where: Base-Base interactions energy: -1057.872 where: short stacking energy: -474.745 Base-Backbone interact. energy: 0.356 local terms energy: -489.843640 where: bonds (distance) C4'-P energy: -87.516 bonds (distance) P-C4' energy: -91.556 flat angles C4'-P-C4' energy: -103.478 flat angles P-C4'-P energy: -62.686 tors. eta vs tors. theta energy: -144.608 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: 4, replica: 10 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1551.567867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.567867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.567867 (E_RNA) where: Base-Base interactions energy: -1085.835 where: short stacking energy: -442.948 Base-Backbone interact. energy: -1.011 local terms energy: -464.722192 where: bonds (distance) C4'-P energy: -91.265 bonds (distance) P-C4' energy: -81.023 flat angles C4'-P-C4' energy: -100.284 flat angles P-C4'-P energy: -73.712 tors. eta vs tors. theta energy: -118.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1420.117238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.117238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.117238 (E_RNA) where: Base-Base interactions energy: -977.181 where: short stacking energy: -418.089 Base-Backbone interact. energy: 0.448 local terms energy: -443.383942 where: bonds (distance) C4'-P energy: -82.021 bonds (distance) P-C4' energy: -96.724 flat angles C4'-P-C4' energy: -96.299 flat angles P-C4'-P energy: -52.484 tors. eta vs tors. theta energy: -115.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1256.961956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.961956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.961956 (E_RNA) where: Base-Base interactions energy: -828.733 where: short stacking energy: -372.686 Base-Backbone interact. energy: -0.078 local terms energy: -428.150399 where: bonds (distance) C4'-P energy: -73.809 bonds (distance) P-C4' energy: -92.530 flat angles C4'-P-C4' energy: -102.184 flat angles P-C4'-P energy: -65.692 tors. eta vs tors. theta energy: -93.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1032.965295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.965295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.965295 (E_RNA) where: Base-Base interactions energy: -686.874 where: short stacking energy: -322.527 Base-Backbone interact. energy: 2.210 local terms energy: -348.300785 where: bonds (distance) C4'-P energy: -72.377 bonds (distance) P-C4' energy: -84.178 flat angles C4'-P-C4' energy: -81.767 flat angles P-C4'-P energy: -47.285 tors. eta vs tors. theta energy: -62.694 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: 7 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -820.731382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.731382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.731382 (E_RNA) where: Base-Base interactions energy: -498.247 where: short stacking energy: -230.023 Base-Backbone interact. energy: -0.656 local terms energy: -321.828618 where: bonds (distance) C4'-P energy: -79.208 bonds (distance) P-C4' energy: -85.204 flat angles C4'-P-C4' energy: -80.479 flat angles P-C4'-P energy: -43.009 tors. eta vs tors. theta energy: -33.930 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: 9 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -632.076425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.076425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.076425 (E_RNA) where: Base-Base interactions energy: -346.784 where: short stacking energy: -167.706 Base-Backbone interact. energy: -0.416 local terms energy: -284.875608 where: bonds (distance) C4'-P energy: -61.615 bonds (distance) P-C4' energy: -85.344 flat angles C4'-P-C4' energy: -92.119 flat angles P-C4'-P energy: -35.530 tors. eta vs tors. theta energy: -10.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -659.076869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.076869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.076869 (E_RNA) where: Base-Base interactions energy: -355.262 where: short stacking energy: -197.135 Base-Backbone interact. energy: 0.725 local terms energy: -304.539259 where: bonds (distance) C4'-P energy: -65.628 bonds (distance) P-C4' energy: -73.495 flat angles C4'-P-C4' energy: -84.486 flat angles P-C4'-P energy: -58.893 tors. eta vs tors. theta energy: -22.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1732.854456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.854456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.854456 (E_RNA) where: Base-Base interactions energy: -1213.331 where: short stacking energy: -521.121 Base-Backbone interact. energy: -0.687 local terms energy: -518.836374 where: bonds (distance) C4'-P energy: -91.729 bonds (distance) P-C4' energy: -99.944 flat angles C4'-P-C4' energy: -115.919 flat angles P-C4'-P energy: -70.687 tors. eta vs tors. theta energy: -140.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1667.251440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.251440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.251440 (E_RNA) where: Base-Base interactions energy: -1153.333 where: short stacking energy: -505.880 Base-Backbone interact. energy: -2.210 local terms energy: -511.709055 where: bonds (distance) C4'-P energy: -94.140 bonds (distance) P-C4' energy: -90.053 flat angles C4'-P-C4' energy: -113.606 flat angles P-C4'-P energy: -70.415 tors. eta vs tors. theta energy: -143.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1529.300359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.300359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.300359 (E_RNA) where: Base-Base interactions energy: -1045.308 where: short stacking energy: -470.009 Base-Backbone interact. energy: -0.254 local terms energy: -483.738789 where: bonds (distance) C4'-P energy: -96.530 bonds (distance) P-C4' energy: -88.293 flat angles C4'-P-C4' energy: -104.326 flat angles P-C4'-P energy: -55.607 tors. eta vs tors. theta energy: -138.984 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: 10 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1513.628469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.628469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.628469 (E_RNA) where: Base-Base interactions energy: -1064.942 where: short stacking energy: -426.132 Base-Backbone interact. energy: 1.439 local terms energy: -450.125384 where: bonds (distance) C4'-P energy: -84.768 bonds (distance) P-C4' energy: -77.951 flat angles C4'-P-C4' energy: -94.787 flat angles P-C4'-P energy: -74.260 tors. eta vs tors. theta energy: -118.360 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: 4 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1430.825415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.825415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.825415 (E_RNA) where: Base-Base interactions energy: -993.746 where: short stacking energy: -412.206 Base-Backbone interact. energy: -2.618 local terms energy: -434.461252 where: bonds (distance) C4'-P energy: -75.790 bonds (distance) P-C4' energy: -87.871 flat angles C4'-P-C4' energy: -100.752 flat angles P-C4'-P energy: -58.007 tors. eta vs tors. theta energy: -112.042 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: 3 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1284.136017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.136017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.136017 (E_RNA) where: Base-Base interactions energy: -845.840 where: short stacking energy: -362.577 Base-Backbone interact. energy: -1.987 local terms energy: -436.309349 where: bonds (distance) C4'-P energy: -87.013 bonds (distance) P-C4' energy: -89.435 flat angles C4'-P-C4' energy: -98.037 flat angles P-C4'-P energy: -60.598 tors. eta vs tors. theta energy: -101.226 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: 5 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -994.762821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.762821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.762821 (E_RNA) where: Base-Base interactions energy: -670.589 where: short stacking energy: -303.790 Base-Backbone interact. energy: 3.816 local terms energy: -327.990363 where: bonds (distance) C4'-P energy: -70.024 bonds (distance) P-C4' energy: -61.054 flat angles C4'-P-C4' energy: -82.752 flat angles P-C4'-P energy: -49.568 tors. eta vs tors. theta energy: -64.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -781.838315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.838315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.838315 (E_RNA) where: Base-Base interactions energy: -474.378 where: short stacking energy: -221.011 Base-Backbone interact. energy: 7.030 local terms energy: -314.489772 where: bonds (distance) C4'-P energy: -74.499 bonds (distance) P-C4' energy: -89.539 flat angles C4'-P-C4' energy: -79.819 flat angles P-C4'-P energy: -45.058 tors. eta vs tors. theta energy: -25.574 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: 9 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -646.187402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.187402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.187402 (E_RNA) where: Base-Base interactions energy: -330.129 where: short stacking energy: -179.538 Base-Backbone interact. energy: -1.539 local terms energy: -314.519936 where: bonds (distance) C4'-P energy: -93.163 bonds (distance) P-C4' energy: -71.169 flat angles C4'-P-C4' energy: -89.642 flat angles P-C4'-P energy: -36.089 tors. eta vs tors. theta energy: -24.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -646.269797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.269797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.269797 (E_RNA) where: Base-Base interactions energy: -368.909 where: short stacking energy: -187.533 Base-Backbone interact. energy: -2.848 local terms energy: -274.512781 where: bonds (distance) C4'-P energy: -60.785 bonds (distance) P-C4' energy: -72.741 flat angles C4'-P-C4' energy: -73.290 flat angles P-C4'-P energy: -52.513 tors. eta vs tors. theta energy: -15.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1725.962490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.962490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.962490 (E_RNA) where: Base-Base interactions energy: -1187.457 where: short stacking energy: -503.737 Base-Backbone interact. energy: -2.472 local terms energy: -536.033129 where: bonds (distance) C4'-P energy: -95.108 bonds (distance) P-C4' energy: -105.542 flat angles C4'-P-C4' energy: -118.525 flat angles P-C4'-P energy: -77.753 tors. eta vs tors. theta energy: -139.105 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: 2, replica: 6 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1669.337000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.337000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.337000 (E_RNA) where: Base-Base interactions energy: -1158.185 where: short stacking energy: -493.875 Base-Backbone interact. energy: 3.606 local terms energy: -514.757366 where: bonds (distance) C4'-P energy: -88.135 bonds (distance) P-C4' energy: -95.346 flat angles C4'-P-C4' energy: -105.445 flat angles P-C4'-P energy: -78.936 tors. eta vs tors. theta energy: -146.895 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: 10 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1575.866099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.866099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.866099 (E_RNA) where: Base-Base interactions energy: -1071.166 where: short stacking energy: -451.016 Base-Backbone interact. energy: -4.460 local terms energy: -500.239981 where: bonds (distance) C4'-P energy: -94.465 bonds (distance) P-C4' energy: -97.908 flat angles C4'-P-C4' energy: -108.404 flat angles P-C4'-P energy: -70.674 tors. eta vs tors. theta energy: -128.789 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: 2 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1507.709763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.709763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.709763 (E_RNA) where: Base-Base interactions energy: -1035.457 where: short stacking energy: -422.983 Base-Backbone interact. energy: -2.553 local terms energy: -469.700264 where: bonds (distance) C4'-P energy: -95.280 bonds (distance) P-C4' energy: -93.799 flat angles C4'-P-C4' energy: -94.976 flat angles P-C4'-P energy: -65.234 tors. eta vs tors. theta energy: -120.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1414.935274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.935274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.935274 (E_RNA) where: Base-Base interactions energy: -974.860 where: short stacking energy: -395.114 Base-Backbone interact. energy: -2.101 local terms energy: -437.974357 where: bonds (distance) C4'-P energy: -88.522 bonds (distance) P-C4' energy: -92.992 flat angles C4'-P-C4' energy: -93.321 flat angles P-C4'-P energy: -56.602 tors. eta vs tors. theta energy: -106.537 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: 3 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1339.624234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.624234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.624234 (E_RNA) where: Base-Base interactions energy: -893.440 where: short stacking energy: -413.131 Base-Backbone interact. energy: -1.207 local terms energy: -444.977070 where: bonds (distance) C4'-P energy: -76.977 bonds (distance) P-C4' energy: -91.972 flat angles C4'-P-C4' energy: -93.365 flat angles P-C4'-P energy: -61.196 tors. eta vs tors. theta energy: -121.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -937.731539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.731539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.731539 (E_RNA) where: Base-Base interactions energy: -582.106 where: short stacking energy: -277.306 Base-Backbone interact. energy: 0.187 local terms energy: -355.811902 where: bonds (distance) C4'-P energy: -89.081 bonds (distance) P-C4' energy: -76.675 flat angles C4'-P-C4' energy: -82.208 flat angles P-C4'-P energy: -50.541 tors. eta vs tors. theta energy: -57.307 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: 8, replica: 7 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -823.424979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.424979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.424979 (E_RNA) where: Base-Base interactions energy: -497.077 where: short stacking energy: -243.718 Base-Backbone interact. energy: 2.885 local terms energy: -329.232906 where: bonds (distance) C4'-P energy: -77.061 bonds (distance) P-C4' energy: -76.666 flat angles C4'-P-C4' energy: -80.640 flat angles P-C4'-P energy: -55.109 tors. eta vs tors. theta energy: -39.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -599.999531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.999531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.999531 (E_RNA) where: Base-Base interactions energy: -325.736 where: short stacking energy: -191.908 Base-Backbone interact. energy: 7.496 local terms energy: -281.759494 where: bonds (distance) C4'-P energy: -81.696 bonds (distance) P-C4' energy: -81.183 flat angles C4'-P-C4' energy: -72.469 flat angles P-C4'-P energy: -44.764 tors. eta vs tors. theta energy: -1.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -666.861309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.861309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.861309 (E_RNA) where: Base-Base interactions energy: -394.854 where: short stacking energy: -192.897 Base-Backbone interact. energy: -1.611 local terms energy: -270.396578 where: bonds (distance) C4'-P energy: -56.809 bonds (distance) P-C4' energy: -96.786 flat angles C4'-P-C4' energy: -69.126 flat angles P-C4'-P energy: -34.556 tors. eta vs tors. theta energy: -13.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1699.169625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.169625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.169625 (E_RNA) where: Base-Base interactions energy: -1162.909 where: short stacking energy: -501.839 Base-Backbone interact. energy: -3.423 local terms energy: -532.838124 where: bonds (distance) C4'-P energy: -101.811 bonds (distance) P-C4' energy: -96.406 flat angles C4'-P-C4' energy: -113.709 flat angles P-C4'-P energy: -82.012 tors. eta vs tors. theta energy: -138.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1682.247531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.247531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.247531 (E_RNA) where: Base-Base interactions energy: -1153.178 where: short stacking energy: -517.199 Base-Backbone interact. energy: -0.733 local terms energy: -528.337405 where: bonds (distance) C4'-P energy: -98.575 bonds (distance) P-C4' energy: -101.475 flat angles C4'-P-C4' energy: -104.114 flat angles P-C4'-P energy: -66.109 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: 3, replica: 10 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1567.524060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.524060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.524060 (E_RNA) where: Base-Base interactions energy: -1078.327 where: short stacking energy: -463.832 Base-Backbone interact. energy: -0.762 local terms energy: -488.434312 where: bonds (distance) C4'-P energy: -96.299 bonds (distance) P-C4' energy: -93.635 flat angles C4'-P-C4' energy: -105.378 flat angles P-C4'-P energy: -66.034 tors. eta vs tors. theta energy: -127.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1521.510260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.510260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.510260 (E_RNA) where: Base-Base interactions energy: -1055.492 where: short stacking energy: -442.899 Base-Backbone interact. energy: 1.284 local terms energy: -467.302384 where: bonds (distance) C4'-P energy: -84.702 bonds (distance) P-C4' energy: -83.297 flat angles C4'-P-C4' energy: -104.205 flat angles P-C4'-P energy: -75.766 tors. eta vs tors. theta energy: -119.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1422.017282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.017282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.017282 (E_RNA) where: Base-Base interactions energy: -953.907 where: short stacking energy: -408.339 Base-Backbone interact. energy: -1.868 local terms energy: -466.242507 where: bonds (distance) C4'-P energy: -92.654 bonds (distance) P-C4' energy: -91.374 flat angles C4'-P-C4' energy: -99.507 flat angles P-C4'-P energy: -65.369 tors. eta vs tors. theta energy: -117.338 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: 3 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1295.644185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.644185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.644185 (E_RNA) where: Base-Base interactions energy: -857.189 where: short stacking energy: -422.845 Base-Backbone interact. energy: -0.987 local terms energy: -437.468572 where: bonds (distance) C4'-P energy: -74.060 bonds (distance) P-C4' energy: -81.559 flat angles C4'-P-C4' energy: -97.953 flat angles P-C4'-P energy: -64.164 tors. eta vs tors. theta energy: -119.733 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: 7, replica: 5 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -973.100664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.100664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.100664 (E_RNA) where: Base-Base interactions energy: -610.217 where: short stacking energy: -275.134 Base-Backbone interact. energy: -0.884 local terms energy: -361.999820 where: bonds (distance) C4'-P energy: -86.939 bonds (distance) P-C4' energy: -87.263 flat angles C4'-P-C4' energy: -85.064 flat angles P-C4'-P energy: -58.341 tors. eta vs tors. theta energy: -44.392 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: 7 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -809.494692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.494692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.494692 (E_RNA) where: Base-Base interactions energy: -480.847 where: short stacking energy: -233.488 Base-Backbone interact. energy: -1.489 local terms energy: -327.158694 where: bonds (distance) C4'-P energy: -94.163 bonds (distance) P-C4' energy: -76.242 flat angles C4'-P-C4' energy: -76.047 flat angles P-C4'-P energy: -52.949 tors. eta vs tors. theta energy: -27.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -613.339044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.339044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.339044 (E_RNA) where: Base-Base interactions energy: -345.614 where: short stacking energy: -190.713 Base-Backbone interact. energy: 4.030 local terms energy: -271.755022 where: bonds (distance) C4'-P energy: -81.636 bonds (distance) P-C4' energy: -77.998 flat angles C4'-P-C4' energy: -57.163 flat angles P-C4'-P energy: -29.665 tors. eta vs tors. theta energy: -25.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -686.012007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.012007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.012007 (E_RNA) where: Base-Base interactions energy: -387.736 where: short stacking energy: -204.697 Base-Backbone interact. energy: 1.660 local terms energy: -299.936561 where: bonds (distance) C4'-P energy: -70.221 bonds (distance) P-C4' energy: -86.912 flat angles C4'-P-C4' energy: -73.310 flat angles P-C4'-P energy: -36.497 tors. eta vs tors. theta energy: -32.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1723.177427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.177427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.177427 (E_RNA) where: Base-Base interactions energy: -1210.293 where: short stacking energy: -485.400 Base-Backbone interact. energy: -3.972 local terms energy: -508.912707 where: bonds (distance) C4'-P energy: -96.230 bonds (distance) P-C4' energy: -94.077 flat angles C4'-P-C4' energy: -110.355 flat angles P-C4'-P energy: -73.721 tors. eta vs tors. theta energy: -134.531 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: 6 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1696.707022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.707022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.707022 (E_RNA) where: Base-Base interactions energy: -1170.966 where: short stacking energy: -523.407 Base-Backbone interact. energy: -1.463 local terms energy: -524.278321 where: bonds (distance) C4'-P energy: -90.946 bonds (distance) P-C4' energy: -80.259 flat angles C4'-P-C4' energy: -118.853 flat angles P-C4'-P energy: -70.529 tors. eta vs tors. theta energy: -163.692 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: 10 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1555.988950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.988950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.988950 (E_RNA) where: Base-Base interactions energy: -1072.534 where: short stacking energy: -441.504 Base-Backbone interact. energy: -2.140 local terms energy: -481.315158 where: bonds (distance) C4'-P energy: -99.605 bonds (distance) P-C4' energy: -97.103 flat angles C4'-P-C4' energy: -109.886 flat angles P-C4'-P energy: -55.290 tors. eta vs tors. theta energy: -119.432 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: 2 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1510.565221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.565221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.565221 (E_RNA) where: Base-Base interactions energy: -1063.613 where: short stacking energy: -444.182 Base-Backbone interact. energy: -2.953 local terms energy: -443.998675 where: bonds (distance) C4'-P energy: -74.018 bonds (distance) P-C4' energy: -85.626 flat angles C4'-P-C4' energy: -91.023 flat angles P-C4'-P energy: -62.769 tors. eta vs tors. theta energy: -130.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1408.993785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.993785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.993785 (E_RNA) where: Base-Base interactions energy: -973.693 where: short stacking energy: -417.013 Base-Backbone interact. energy: 0.378 local terms energy: -435.679361 where: bonds (distance) C4'-P energy: -104.055 bonds (distance) P-C4' energy: -68.621 flat angles C4'-P-C4' energy: -80.302 flat angles P-C4'-P energy: -76.468 tors. eta vs tors. theta energy: -106.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1293.067516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.067516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.067516 (E_RNA) where: Base-Base interactions energy: -862.767 where: short stacking energy: -374.368 Base-Backbone interact. energy: 0.792 local terms energy: -431.092849 where: bonds (distance) C4'-P energy: -80.261 bonds (distance) P-C4' energy: -79.589 flat angles C4'-P-C4' energy: -98.306 flat angles P-C4'-P energy: -60.655 tors. eta vs tors. theta energy: -112.282 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: 5 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1037.453379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.453379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.453379 (E_RNA) where: Base-Base interactions energy: -662.149 where: short stacking energy: -323.763 Base-Backbone interact. energy: 2.433 local terms energy: -377.737567 where: bonds (distance) C4'-P energy: -87.054 bonds (distance) P-C4' energy: -97.585 flat angles C4'-P-C4' energy: -80.047 flat angles P-C4'-P energy: -47.060 tors. eta vs tors. theta energy: -65.992 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: 7 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -797.020637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.020637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.020637 (E_RNA) where: Base-Base interactions energy: -480.094 where: short stacking energy: -219.586 Base-Backbone interact. energy: -2.524 local terms energy: -314.401830 where: bonds (distance) C4'-P energy: -87.277 bonds (distance) P-C4' energy: -74.515 flat angles C4'-P-C4' energy: -84.171 flat angles P-C4'-P energy: -53.437 tors. eta vs tors. theta energy: -15.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -668.897884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.897884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.897884 (E_RNA) where: Base-Base interactions energy: -346.283 where: short stacking energy: -178.351 Base-Backbone interact. energy: -0.873 local terms energy: -321.741489 where: bonds (distance) C4'-P energy: -82.007 bonds (distance) P-C4' energy: -95.751 flat angles C4'-P-C4' energy: -91.109 flat angles P-C4'-P energy: -36.696 tors. eta vs tors. theta energy: -16.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -558.606396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.606396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.606396 (E_RNA) where: Base-Base interactions energy: -287.958 where: short stacking energy: -161.191 Base-Backbone interact. energy: 2.252 local terms energy: -272.900165 where: bonds (distance) C4'-P energy: -70.393 bonds (distance) P-C4' energy: -75.060 flat angles C4'-P-C4' energy: -71.786 flat angles P-C4'-P energy: -38.474 tors. eta vs tors. theta energy: -17.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1735.264922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.264922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.264922 (E_RNA) where: Base-Base interactions energy: -1219.398 where: short stacking energy: -502.489 Base-Backbone interact. energy: 0.066 local terms energy: -515.933723 where: bonds (distance) C4'-P energy: -94.476 bonds (distance) P-C4' energy: -106.112 flat angles C4'-P-C4' energy: -105.257 flat angles P-C4'-P energy: -71.819 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: 2, replica: 6 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1693.680102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.680102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.680102 (E_RNA) where: Base-Base interactions energy: -1157.402 where: short stacking energy: -536.888 Base-Backbone interact. energy: -0.988 local terms energy: -535.289495 where: bonds (distance) C4'-P energy: -90.421 bonds (distance) P-C4' energy: -98.307 flat angles C4'-P-C4' energy: -117.426 flat angles P-C4'-P energy: -66.545 tors. eta vs tors. theta energy: -162.591 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: 10 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1525.090044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.090044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.090044 (E_RNA) where: Base-Base interactions energy: -1058.327 where: short stacking energy: -438.922 Base-Backbone interact. energy: -1.589 local terms energy: -465.173697 where: bonds (distance) C4'-P energy: -84.125 bonds (distance) P-C4' energy: -81.117 flat angles C4'-P-C4' energy: -93.307 flat angles P-C4'-P energy: -72.845 tors. eta vs tors. theta energy: -133.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1524.469464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.469464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.469464 (E_RNA) where: Base-Base interactions energy: -1032.923 where: short stacking energy: -449.591 Base-Backbone interact. energy: -1.883 local terms energy: -489.662944 where: bonds (distance) C4'-P energy: -75.998 bonds (distance) P-C4' energy: -89.402 flat angles C4'-P-C4' energy: -108.590 flat angles P-C4'-P energy: -74.499 tors. eta vs tors. theta energy: -141.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1397.391851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.391851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.391851 (E_RNA) where: Base-Base interactions energy: -965.526 where: short stacking energy: -390.096 Base-Backbone interact. energy: -1.744 local terms energy: -430.121370 where: bonds (distance) C4'-P energy: -83.178 bonds (distance) P-C4' energy: -82.755 flat angles C4'-P-C4' energy: -103.619 flat angles P-C4'-P energy: -59.580 tors. eta vs tors. theta energy: -100.990 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: 3 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1246.801967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.801967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.801967 (E_RNA) where: Base-Base interactions energy: -840.875 where: short stacking energy: -354.834 Base-Backbone interact. energy: -0.348 local terms energy: -405.579195 where: bonds (distance) C4'-P energy: -77.141 bonds (distance) P-C4' energy: -86.128 flat angles C4'-P-C4' energy: -95.282 flat angles P-C4'-P energy: -63.660 tors. eta vs tors. theta energy: -83.368 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: 5 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -985.452164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.452164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.452164 (E_RNA) where: Base-Base interactions energy: -640.291 where: short stacking energy: -294.914 Base-Backbone interact. energy: -1.094 local terms energy: -344.067306 where: bonds (distance) C4'-P energy: -84.046 bonds (distance) P-C4' energy: -82.460 flat angles C4'-P-C4' energy: -70.614 flat angles P-C4'-P energy: -55.211 tors. eta vs tors. theta energy: -51.736 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: 7 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -776.034225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.034225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.034225 (E_RNA) where: Base-Base interactions energy: -453.168 where: short stacking energy: -230.731 Base-Backbone interact. energy: -0.357 local terms energy: -322.508564 where: bonds (distance) C4'-P energy: -68.486 bonds (distance) P-C4' energy: -81.267 flat angles C4'-P-C4' energy: -85.740 flat angles P-C4'-P energy: -57.659 tors. eta vs tors. theta energy: -29.357 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: 135 Temperature: 1.300000 Total energy: -704.528671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.528671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.528671 (E_RNA) where: Base-Base interactions energy: -415.108 where: short stacking energy: -190.562 Base-Backbone interact. energy: 2.849 local terms energy: -292.269568 where: bonds (distance) C4'-P energy: -83.835 bonds (distance) P-C4' energy: -74.089 flat angles C4'-P-C4' energy: -76.514 flat angles P-C4'-P energy: -52.173 tors. eta vs tors. theta energy: -5.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -575.421249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.421249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.421249 (E_RNA) where: Base-Base interactions energy: -289.977 where: short stacking energy: -157.713 Base-Backbone interact. energy: -0.473 local terms energy: -284.970710 where: bonds (distance) C4'-P energy: -84.085 bonds (distance) P-C4' energy: -84.894 flat angles C4'-P-C4' energy: -64.000 flat angles P-C4'-P energy: -39.758 tors. eta vs tors. theta energy: -12.233 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: 8 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1747.258112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.258112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.258112 (E_RNA) where: Base-Base interactions energy: -1232.300 where: short stacking energy: -507.016 Base-Backbone interact. energy: -3.283 local terms energy: -511.675640 where: bonds (distance) C4'-P energy: -84.035 bonds (distance) P-C4' energy: -104.816 flat angles C4'-P-C4' energy: -109.832 flat angles P-C4'-P energy: -74.770 tors. eta vs tors. theta energy: -138.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1679.028503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.028503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.028503 (E_RNA) where: Base-Base interactions energy: -1137.509 where: short stacking energy: -511.909 Base-Backbone interact. energy: -0.748 local terms energy: -540.771461 where: bonds (distance) C4'-P energy: -93.799 bonds (distance) P-C4' energy: -90.802 flat angles C4'-P-C4' energy: -115.946 flat angles P-C4'-P energy: -76.560 tors. eta vs tors. theta energy: -163.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1581.277099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.277099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.277099 (E_RNA) where: Base-Base interactions energy: -1069.160 where: short stacking energy: -458.583 Base-Backbone interact. energy: -1.817 local terms energy: -510.300315 where: bonds (distance) C4'-P energy: -103.253 bonds (distance) P-C4' energy: -99.842 flat angles C4'-P-C4' energy: -103.154 flat angles P-C4'-P energy: -70.442 tors. eta vs tors. theta energy: -133.609 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: 10 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1505.332866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.332866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.332866 (E_RNA) where: Base-Base interactions energy: -1043.004 where: short stacking energy: -422.483 Base-Backbone interact. energy: -1.737 local terms energy: -460.591858 where: bonds (distance) C4'-P energy: -87.759 bonds (distance) P-C4' energy: -89.914 flat angles C4'-P-C4' energy: -95.286 flat angles P-C4'-P energy: -61.844 tors. eta vs tors. theta energy: -125.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1378.773273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.773273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.773273 (E_RNA) where: Base-Base interactions energy: -937.042 where: short stacking energy: -399.396 Base-Backbone interact. energy: 0.633 local terms energy: -442.364131 where: bonds (distance) C4'-P energy: -80.190 bonds (distance) P-C4' energy: -103.133 flat angles C4'-P-C4' energy: -98.810 flat angles P-C4'-P energy: -53.159 tors. eta vs tors. theta energy: -107.073 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: 3 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1285.073051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.073051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.073051 (E_RNA) where: Base-Base interactions energy: -888.636 where: short stacking energy: -402.521 Base-Backbone interact. energy: -0.864 local terms energy: -395.573387 where: bonds (distance) C4'-P energy: -72.562 bonds (distance) P-C4' energy: -78.343 flat angles C4'-P-C4' energy: -96.757 flat angles P-C4'-P energy: -43.331 tors. eta vs tors. theta energy: -104.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1024.618687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.618687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.618687 (E_RNA) where: Base-Base interactions energy: -652.193 where: short stacking energy: -272.823 Base-Backbone interact. energy: 0.057 local terms energy: -372.482059 where: bonds (distance) C4'-P energy: -90.189 bonds (distance) P-C4' energy: -75.123 flat angles C4'-P-C4' energy: -89.614 flat angles P-C4'-P energy: -56.226 tors. eta vs tors. theta energy: -61.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -847.822419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.822419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.822419 (E_RNA) where: Base-Base interactions energy: -510.503 where: short stacking energy: -239.420 Base-Backbone interact. energy: 5.232 local terms energy: -342.551047 where: bonds (distance) C4'-P energy: -80.350 bonds (distance) P-C4' energy: -93.599 flat angles C4'-P-C4' energy: -88.376 flat angles P-C4'-P energy: -37.864 tors. eta vs tors. theta energy: -42.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -708.036658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.036658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.036658 (E_RNA) where: Base-Base interactions energy: -434.818 where: short stacking energy: -216.202 Base-Backbone interact. energy: 0.965 local terms energy: -274.182936 where: bonds (distance) C4'-P energy: -73.605 bonds (distance) P-C4' energy: -76.054 flat angles C4'-P-C4' energy: -83.702 flat angles P-C4'-P energy: -31.765 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: 10, replica: 9 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -579.087914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.087914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.087914 (E_RNA) where: Base-Base interactions energy: -287.756 where: short stacking energy: -177.406 Base-Backbone interact. energy: -1.647 local terms energy: -289.685237 where: bonds (distance) C4'-P energy: -67.870 bonds (distance) P-C4' energy: -85.467 flat angles C4'-P-C4' energy: -83.621 flat angles P-C4'-P energy: -32.572 tors. eta vs tors. theta energy: -20.155 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: 8 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1739.305385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.305385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.305385 (E_RNA) where: Base-Base interactions energy: -1221.656 where: short stacking energy: -505.271 Base-Backbone interact. energy: -3.400 local terms energy: -514.249194 where: bonds (distance) C4'-P energy: -90.855 bonds (distance) P-C4' energy: -100.710 flat angles C4'-P-C4' energy: -106.654 flat angles P-C4'-P energy: -69.079 tors. eta vs tors. theta energy: -146.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1688.042757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.042757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.042757 (E_RNA) where: Base-Base interactions energy: -1166.430 where: short stacking energy: -528.157 Base-Backbone interact. energy: -0.690 local terms energy: -520.922676 where: bonds (distance) C4'-P energy: -90.891 bonds (distance) P-C4' energy: -95.109 flat angles C4'-P-C4' energy: -111.370 flat angles P-C4'-P energy: -64.256 tors. eta vs tors. theta energy: -159.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1566.031784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.031784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.031784 (E_RNA) where: Base-Base interactions energy: -1091.307 where: short stacking energy: -456.989 Base-Backbone interact. energy: -1.203 local terms energy: -473.521783 where: bonds (distance) C4'-P energy: -73.264 bonds (distance) P-C4' energy: -95.879 flat angles C4'-P-C4' energy: -96.967 flat angles P-C4'-P energy: -76.762 tors. eta vs tors. theta energy: -130.651 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: 4, replica: 10 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1461.498960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.498960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.498960 (E_RNA) where: Base-Base interactions energy: -1001.170 where: short stacking energy: -412.717 Base-Backbone interact. energy: -1.414 local terms energy: -458.914620 where: bonds (distance) C4'-P energy: -88.210 bonds (distance) P-C4' energy: -96.031 flat angles C4'-P-C4' energy: -96.152 flat angles P-C4'-P energy: -60.215 tors. eta vs tors. theta energy: -118.307 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: 4 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1385.909501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.909501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.909501 (E_RNA) where: Base-Base interactions energy: -952.901 where: short stacking energy: -397.187 Base-Backbone interact. energy: -1.602 local terms energy: -431.406457 where: bonds (distance) C4'-P energy: -89.383 bonds (distance) P-C4' energy: -90.425 flat angles C4'-P-C4' energy: -94.235 flat angles P-C4'-P energy: -52.955 tors. eta vs tors. theta energy: -104.409 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: 3 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1257.054039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.054039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.054039 (E_RNA) where: Base-Base interactions energy: -852.947 where: short stacking energy: -382.988 Base-Backbone interact. energy: 2.572 local terms energy: -406.679235 where: bonds (distance) C4'-P energy: -72.681 bonds (distance) P-C4' energy: -95.485 flat angles C4'-P-C4' energy: -76.165 flat angles P-C4'-P energy: -66.292 tors. eta vs tors. theta energy: -96.057 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: 5 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1002.106597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.106597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.106597 (E_RNA) where: Base-Base interactions energy: -658.971 where: short stacking energy: -276.312 Base-Backbone interact. energy: 1.642 local terms energy: -344.777045 where: bonds (distance) C4'-P energy: -84.197 bonds (distance) P-C4' energy: -75.434 flat angles C4'-P-C4' energy: -74.329 flat angles P-C4'-P energy: -57.814 tors. eta vs tors. theta energy: -53.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -835.176386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.176386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.176386 (E_RNA) where: Base-Base interactions energy: -482.889 where: short stacking energy: -235.006 Base-Backbone interact. energy: -2.785 local terms energy: -349.502760 where: bonds (distance) C4'-P energy: -85.349 bonds (distance) P-C4' energy: -74.705 flat angles C4'-P-C4' energy: -84.716 flat angles P-C4'-P energy: -56.940 tors. eta vs tors. theta energy: -47.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -702.650784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.650784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.650784 (E_RNA) where: Base-Base interactions energy: -420.435 where: short stacking energy: -211.637 Base-Backbone interact. energy: 2.885 local terms energy: -285.101157 where: bonds (distance) C4'-P energy: -77.330 bonds (distance) P-C4' energy: -61.587 flat angles C4'-P-C4' energy: -75.021 flat angles P-C4'-P energy: -41.784 tors. eta vs tors. theta energy: -29.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -504.461822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.461822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.461822 (E_RNA) where: Base-Base interactions energy: -229.072 where: short stacking energy: -144.223 Base-Backbone interact. energy: -2.401 local terms energy: -272.989193 where: bonds (distance) C4'-P energy: -80.488 bonds (distance) P-C4' energy: -92.658 flat angles C4'-P-C4' energy: -66.632 flat angles P-C4'-P energy: -38.678 tors. eta vs tors. theta energy: 5.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1724.155389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.155389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.155389 (E_RNA) where: Base-Base interactions energy: -1198.000 where: short stacking energy: -517.523 Base-Backbone interact. energy: -0.817 local terms energy: -525.339134 where: bonds (distance) C4'-P energy: -94.114 bonds (distance) P-C4' energy: -100.207 flat angles C4'-P-C4' energy: -114.353 flat angles P-C4'-P energy: -68.251 tors. eta vs tors. theta energy: -148.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1702.867240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.867240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.867240 (E_RNA) where: Base-Base interactions energy: -1172.892 where: short stacking energy: -539.032 Base-Backbone interact. energy: -1.115 local terms energy: -528.860963 where: bonds (distance) C4'-P energy: -87.009 bonds (distance) P-C4' energy: -95.920 flat angles C4'-P-C4' energy: -104.916 flat angles P-C4'-P energy: -73.183 tors. eta vs tors. theta energy: -167.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1585.383972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.383972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.383972 (E_RNA) where: Base-Base interactions energy: -1094.301 where: short stacking energy: -467.335 Base-Backbone interact. energy: -3.069 local terms energy: -488.014871 where: bonds (distance) C4'-P energy: -86.555 bonds (distance) P-C4' energy: -87.035 flat angles C4'-P-C4' energy: -109.931 flat angles P-C4'-P energy: -68.378 tors. eta vs tors. theta energy: -136.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1454.781276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.781276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.781276 (E_RNA) where: Base-Base interactions energy: -999.359 where: short stacking energy: -416.394 Base-Backbone interact. energy: -2.538 local terms energy: -452.883441 where: bonds (distance) C4'-P energy: -78.541 bonds (distance) P-C4' energy: -96.451 flat angles C4'-P-C4' energy: -95.650 flat angles P-C4'-P energy: -73.424 tors. eta vs tors. theta energy: -108.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1410.707113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.707113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.707113 (E_RNA) where: Base-Base interactions energy: -972.598 where: short stacking energy: -404.184 Base-Backbone interact. energy: -0.795 local terms energy: -437.314674 where: bonds (distance) C4'-P energy: -80.001 bonds (distance) P-C4' energy: -91.018 flat angles C4'-P-C4' energy: -103.879 flat angles P-C4'-P energy: -60.113 tors. eta vs tors. theta energy: -102.303 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: 3 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1234.366666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.366666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.366666 (E_RNA) where: Base-Base interactions energy: -812.858 where: short stacking energy: -367.754 Base-Backbone interact. energy: -1.761 local terms energy: -419.747284 where: bonds (distance) C4'-P energy: -80.291 bonds (distance) P-C4' energy: -91.523 flat angles C4'-P-C4' energy: -96.529 flat angles P-C4'-P energy: -53.888 tors. eta vs tors. theta energy: -97.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1019.193494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.193494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.193494 (E_RNA) where: Base-Base interactions energy: -646.588 where: short stacking energy: -286.861 Base-Backbone interact. energy: 0.516 local terms energy: -373.121321 where: bonds (distance) C4'-P energy: -71.774 bonds (distance) P-C4' energy: -101.290 flat angles C4'-P-C4' energy: -88.422 flat angles P-C4'-P energy: -59.670 tors. eta vs tors. theta energy: -51.965 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: 7 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -859.728662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.728662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.728662 (E_RNA) where: Base-Base interactions energy: -540.994 where: short stacking energy: -233.365 Base-Backbone interact. energy: 1.401 local terms energy: -320.135842 where: bonds (distance) C4'-P energy: -62.854 bonds (distance) P-C4' energy: -75.829 flat angles C4'-P-C4' energy: -93.280 flat angles P-C4'-P energy: -52.670 tors. eta vs tors. theta energy: -35.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -711.542347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.542347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.542347 (E_RNA) where: Base-Base interactions energy: -392.099 where: short stacking energy: -203.348 Base-Backbone interact. energy: 1.916 local terms energy: -321.359253 where: bonds (distance) C4'-P energy: -68.030 bonds (distance) P-C4' energy: -97.159 flat angles C4'-P-C4' energy: -72.118 flat angles P-C4'-P energy: -51.471 tors. eta vs tors. theta energy: -32.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -486.853189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.853189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.853189 (E_RNA) where: Base-Base interactions energy: -216.974 where: short stacking energy: -137.242 Base-Backbone interact. energy: -0.834 local terms energy: -269.044952 where: bonds (distance) C4'-P energy: -89.632 bonds (distance) P-C4' energy: -79.427 flat angles C4'-P-C4' energy: -63.704 flat angles P-C4'-P energy: -47.325 tors. eta vs tors. theta energy: 11.042 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: 8 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1728.296957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.296957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.296957 (E_RNA) where: Base-Base interactions energy: -1197.311 where: short stacking energy: -505.409 Base-Backbone interact. energy: -4.438 local terms energy: -526.547413 where: bonds (distance) C4'-P energy: -104.740 bonds (distance) P-C4' energy: -94.051 flat angles C4'-P-C4' energy: -109.651 flat angles P-C4'-P energy: -75.406 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: 2, replica: 6 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1699.983650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.983650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.983650 (E_RNA) where: Base-Base interactions energy: -1155.874 where: short stacking energy: -526.541 Base-Backbone interact. energy: -1.639 local terms energy: -542.471047 where: bonds (distance) C4'-P energy: -93.544 bonds (distance) P-C4' energy: -95.232 flat angles C4'-P-C4' energy: -111.512 flat angles P-C4'-P energy: -83.882 tors. eta vs tors. theta energy: -158.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1558.073567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.073567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.073567 (E_RNA) where: Base-Base interactions energy: -1075.699 where: short stacking energy: -439.021 Base-Backbone interact. energy: 1.921 local terms energy: -484.295207 where: bonds (distance) C4'-P energy: -77.622 bonds (distance) P-C4' energy: -93.578 flat angles C4'-P-C4' energy: -95.661 flat angles P-C4'-P energy: -81.788 tors. eta vs tors. theta energy: -135.645 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: 10 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1491.983790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.983790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.983790 (E_RNA) where: Base-Base interactions energy: -1018.384 where: short stacking energy: -428.742 Base-Backbone interact. energy: -0.293 local terms energy: -473.306912 where: bonds (distance) C4'-P energy: -97.278 bonds (distance) P-C4' energy: -95.755 flat angles C4'-P-C4' energy: -102.271 flat angles P-C4'-P energy: -61.324 tors. eta vs tors. theta energy: -116.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1388.188036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.188036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.188036 (E_RNA) where: Base-Base interactions energy: -954.936 where: short stacking energy: -396.532 Base-Backbone interact. energy: -2.763 local terms energy: -430.489067 where: bonds (distance) C4'-P energy: -88.439 bonds (distance) P-C4' energy: -82.623 flat angles C4'-P-C4' energy: -90.648 flat angles P-C4'-P energy: -66.706 tors. eta vs tors. theta energy: -102.073 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: 3 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1268.003333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.003333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.003333 (E_RNA) where: Base-Base interactions energy: -835.594 where: short stacking energy: -384.551 Base-Backbone interact. energy: -0.453 local terms energy: -431.955879 where: bonds (distance) C4'-P energy: -82.457 bonds (distance) P-C4' energy: -89.046 flat angles C4'-P-C4' energy: -91.946 flat angles P-C4'-P energy: -64.202 tors. eta vs tors. theta energy: -104.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -982.365498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.365498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.365498 (E_RNA) where: Base-Base interactions energy: -599.765 where: short stacking energy: -314.554 Base-Backbone interact. energy: -2.009 local terms energy: -380.591163 where: bonds (distance) C4'-P energy: -108.918 bonds (distance) P-C4' energy: -66.944 flat angles C4'-P-C4' energy: -91.178 flat angles P-C4'-P energy: -46.073 tors. eta vs tors. theta energy: -67.479 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: 7 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -822.711349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.711349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.711349 (E_RNA) where: Base-Base interactions energy: -514.755 where: short stacking energy: -231.565 Base-Backbone interact. energy: 2.540 local terms energy: -310.495780 where: bonds (distance) C4'-P energy: -84.954 bonds (distance) P-C4' energy: -83.334 flat angles C4'-P-C4' energy: -70.194 flat angles P-C4'-P energy: -46.508 tors. eta vs tors. theta energy: -25.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -728.833974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.833974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.833974 (E_RNA) where: Base-Base interactions energy: -411.332 where: short stacking energy: -202.517 Base-Backbone interact. energy: -2.255 local terms energy: -315.247066 where: bonds (distance) C4'-P energy: -76.631 bonds (distance) P-C4' energy: -92.051 flat angles C4'-P-C4' energy: -76.019 flat angles P-C4'-P energy: -47.936 tors. eta vs tors. theta energy: -22.611 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: 9 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -461.950648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.950648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.950648 (E_RNA) where: Base-Base interactions energy: -201.988 where: short stacking energy: -124.355 Base-Backbone interact. energy: 0.181 local terms energy: -260.143736 where: bonds (distance) C4'-P energy: -77.774 bonds (distance) P-C4' energy: -93.368 flat angles C4'-P-C4' energy: -65.211 flat angles P-C4'-P energy: -36.512 tors. eta vs tors. theta energy: 12.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1725.873153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.873153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.873153 (E_RNA) where: Base-Base interactions energy: -1187.909 where: short stacking energy: -522.860 Base-Backbone interact. energy: -3.926 local terms energy: -534.038183 where: bonds (distance) C4'-P energy: -93.575 bonds (distance) P-C4' energy: -101.914 flat angles C4'-P-C4' energy: -114.557 flat angles P-C4'-P energy: -77.467 tors. eta vs tors. theta energy: -146.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1683.089060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.089060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.089060 (E_RNA) where: Base-Base interactions energy: -1160.004 where: short stacking energy: -526.941 Base-Backbone interact. energy: -0.793 local terms energy: -522.292323 where: bonds (distance) C4'-P energy: -94.211 bonds (distance) P-C4' energy: -91.988 flat angles C4'-P-C4' energy: -98.909 flat angles P-C4'-P energy: -77.010 tors. eta vs tors. theta energy: -160.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1574.283331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.283331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.283331 (E_RNA) where: Base-Base interactions energy: -1117.544 where: short stacking energy: -462.037 Base-Backbone interact. energy: -2.777 local terms energy: -453.962660 where: bonds (distance) C4'-P energy: -80.239 bonds (distance) P-C4' energy: -90.141 flat angles C4'-P-C4' energy: -100.000 flat angles P-C4'-P energy: -57.165 tors. eta vs tors. theta energy: -126.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1489.108489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.108489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.108489 (E_RNA) where: Base-Base interactions energy: -1014.880 where: short stacking energy: -435.460 Base-Backbone interact. energy: 0.771 local terms energy: -474.998727 where: bonds (distance) C4'-P energy: -87.049 bonds (distance) P-C4' energy: -99.743 flat angles C4'-P-C4' energy: -93.372 flat angles P-C4'-P energy: -64.581 tors. eta vs tors. theta energy: -130.254 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: 4 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1371.904938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.904938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.904938 (E_RNA) where: Base-Base interactions energy: -939.404 where: short stacking energy: -394.762 Base-Backbone interact. energy: 0.952 local terms energy: -433.453015 where: bonds (distance) C4'-P energy: -83.280 bonds (distance) P-C4' energy: -92.055 flat angles C4'-P-C4' energy: -99.518 flat angles P-C4'-P energy: -60.675 tors. eta vs tors. theta energy: -97.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1317.784955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.784955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.784955 (E_RNA) where: Base-Base interactions energy: -858.192 where: short stacking energy: -392.491 Base-Backbone interact. energy: 0.319 local terms energy: -459.912333 where: bonds (distance) C4'-P energy: -80.153 bonds (distance) P-C4' energy: -98.565 flat angles C4'-P-C4' energy: -98.821 flat angles P-C4'-P energy: -63.551 tors. eta vs tors. theta energy: -118.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -974.546841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.546841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.546841 (E_RNA) where: Base-Base interactions energy: -614.670 where: short stacking energy: -287.506 Base-Backbone interact. energy: -2.181 local terms energy: -357.696281 where: bonds (distance) C4'-P energy: -81.577 bonds (distance) P-C4' energy: -74.910 flat angles C4'-P-C4' energy: -82.249 flat angles P-C4'-P energy: -54.153 tors. eta vs tors. theta energy: -64.808 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: 8, replica: 7 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -799.503598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.503598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.503598 (E_RNA) where: Base-Base interactions energy: -458.775 where: short stacking energy: -213.431 Base-Backbone interact. energy: -3.391 local terms energy: -337.338042 where: bonds (distance) C4'-P energy: -92.870 bonds (distance) P-C4' energy: -88.145 flat angles C4'-P-C4' energy: -80.346 flat angles P-C4'-P energy: -56.565 tors. eta vs tors. theta energy: -19.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -750.860795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.860795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.860795 (E_RNA) where: Base-Base interactions energy: -440.451 where: short stacking energy: -203.791 Base-Backbone interact. energy: 3.610 local terms energy: -314.020042 where: bonds (distance) C4'-P energy: -88.813 bonds (distance) P-C4' energy: -89.837 flat angles C4'-P-C4' energy: -71.587 flat angles P-C4'-P energy: -43.141 tors. eta vs tors. theta energy: -20.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -499.504619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.504619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.504619 (E_RNA) where: Base-Base interactions energy: -225.118 where: short stacking energy: -140.636 Base-Backbone interact. energy: -0.881 local terms energy: -273.505765 where: bonds (distance) C4'-P energy: -84.859 bonds (distance) P-C4' energy: -78.778 flat angles C4'-P-C4' energy: -74.251 flat angles P-C4'-P energy: -47.806 tors. eta vs tors. theta energy: 12.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1696.038866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.038866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.038866 (E_RNA) where: Base-Base interactions energy: -1176.300 where: short stacking energy: -500.025 Base-Backbone interact. energy: -1.826 local terms energy: -517.912731 where: bonds (distance) C4'-P energy: -102.377 bonds (distance) P-C4' energy: -86.463 flat angles C4'-P-C4' energy: -111.733 flat angles P-C4'-P energy: -78.725 tors. eta vs tors. theta energy: -138.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1683.276744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.276744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.276744 (E_RNA) where: Base-Base interactions energy: -1144.036 where: short stacking energy: -523.416 Base-Backbone interact. energy: 1.343 local terms energy: -540.583523 where: bonds (distance) C4'-P energy: -104.440 bonds (distance) P-C4' energy: -85.754 flat angles C4'-P-C4' energy: -107.896 flat angles P-C4'-P energy: -79.816 tors. eta vs tors. theta energy: -162.677 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: 2 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1562.708045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.708045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.708045 (E_RNA) where: Base-Base interactions energy: -1076.629 where: short stacking energy: -454.744 Base-Backbone interact. energy: -2.202 local terms energy: -483.877845 where: bonds (distance) C4'-P energy: -84.780 bonds (distance) P-C4' energy: -90.428 flat angles C4'-P-C4' energy: -107.261 flat angles P-C4'-P energy: -72.484 tors. eta vs tors. theta energy: -128.925 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: 141 Temperature: 1.050000 Total energy: -1513.163272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.163272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.163272 (E_RNA) where: Base-Base interactions energy: -1041.887 where: short stacking energy: -425.163 Base-Backbone interact. energy: -0.114 local terms energy: -471.161948 where: bonds (distance) C4'-P energy: -85.331 bonds (distance) P-C4' energy: -102.989 flat angles C4'-P-C4' energy: -91.296 flat angles P-C4'-P energy: -65.091 tors. eta vs tors. theta energy: -126.456 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: 4 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1365.880116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.880116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.880116 (E_RNA) where: Base-Base interactions energy: -943.328 where: short stacking energy: -392.374 Base-Backbone interact. energy: 0.821 local terms energy: -423.373377 where: bonds (distance) C4'-P energy: -86.824 bonds (distance) P-C4' energy: -89.151 flat angles C4'-P-C4' energy: -88.847 flat angles P-C4'-P energy: -59.635 tors. eta vs tors. theta energy: -98.916 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: 3 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1304.281238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.281238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.281238 (E_RNA) where: Base-Base interactions energy: -879.751 where: short stacking energy: -391.323 Base-Backbone interact. energy: -1.078 local terms energy: -423.452036 where: bonds (distance) C4'-P energy: -84.510 bonds (distance) P-C4' energy: -73.169 flat angles C4'-P-C4' energy: -88.549 flat angles P-C4'-P energy: -61.909 tors. eta vs tors. theta energy: -115.316 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: 5 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1015.086187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.086187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.086187 (E_RNA) where: Base-Base interactions energy: -653.039 where: short stacking energy: -300.564 Base-Backbone interact. energy: -1.075 local terms energy: -360.972915 where: bonds (distance) C4'-P energy: -67.961 bonds (distance) P-C4' energy: -87.490 flat angles C4'-P-C4' energy: -94.289 flat angles P-C4'-P energy: -47.819 tors. eta vs tors. theta energy: -63.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -786.519837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.519837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.519837 (E_RNA) where: Base-Base interactions energy: -461.615 where: short stacking energy: -218.699 Base-Backbone interact. energy: 0.822 local terms energy: -325.727026 where: bonds (distance) C4'-P energy: -85.848 bonds (distance) P-C4' energy: -69.346 flat angles C4'-P-C4' energy: -78.215 flat angles P-C4'-P energy: -63.778 tors. eta vs tors. theta energy: -28.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -667.966257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.966257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.966257 (E_RNA) where: Base-Base interactions energy: -367.842 where: short stacking energy: -179.201 Base-Backbone interact. energy: -1.409 local terms energy: -298.714674 where: bonds (distance) C4'-P energy: -80.312 bonds (distance) P-C4' energy: -88.611 flat angles C4'-P-C4' energy: -67.947 flat angles P-C4'-P energy: -48.137 tors. eta vs tors. theta energy: -13.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -489.497484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.497484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.497484 (E_RNA) where: Base-Base interactions energy: -215.662 where: short stacking energy: -129.216 Base-Backbone interact. energy: -2.045 local terms energy: -271.790786 where: bonds (distance) C4'-P energy: -69.698 bonds (distance) P-C4' energy: -91.358 flat angles C4'-P-C4' energy: -77.938 flat angles P-C4'-P energy: -42.283 tors. eta vs tors. theta energy: 9.487 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: 8 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1693.739511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.739511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.739511 (E_RNA) where: Base-Base interactions energy: -1178.565 where: short stacking energy: -508.729 Base-Backbone interact. energy: -1.326 local terms energy: -513.848381 where: bonds (distance) C4'-P energy: -88.536 bonds (distance) P-C4' energy: -104.081 flat angles C4'-P-C4' energy: -109.377 flat angles P-C4'-P energy: -74.089 tors. eta vs tors. theta energy: -137.766 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: 6 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1697.551087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.551087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.551087 (E_RNA) where: Base-Base interactions energy: -1162.458 where: short stacking energy: -530.287 Base-Backbone interact. energy: -1.446 local terms energy: -533.647357 where: bonds (distance) C4'-P energy: -97.304 bonds (distance) P-C4' energy: -90.493 flat angles C4'-P-C4' energy: -108.151 flat angles P-C4'-P energy: -76.136 tors. eta vs tors. theta energy: -161.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1620.446643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.446643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.446643 (E_RNA) where: Base-Base interactions energy: -1120.837 where: short stacking energy: -479.089 Base-Backbone interact. energy: -3.197 local terms energy: -496.412442 where: bonds (distance) C4'-P energy: -84.854 bonds (distance) P-C4' energy: -100.491 flat angles C4'-P-C4' energy: -101.785 flat angles P-C4'-P energy: -68.620 tors. eta vs tors. theta energy: -140.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1506.846120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.846120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.846120 (E_RNA) where: Base-Base interactions energy: -1036.574 where: short stacking energy: -428.724 Base-Backbone interact. energy: -3.158 local terms energy: -467.114100 where: bonds (distance) C4'-P energy: -90.503 bonds (distance) P-C4' energy: -78.759 flat angles C4'-P-C4' energy: -105.441 flat angles P-C4'-P energy: -78.036 tors. eta vs tors. theta energy: -114.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1388.701809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.701809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.701809 (E_RNA) where: Base-Base interactions energy: -955.854 where: short stacking energy: -413.533 Base-Backbone interact. energy: -2.957 local terms energy: -429.890285 where: bonds (distance) C4'-P energy: -80.484 bonds (distance) P-C4' energy: -83.972 flat angles C4'-P-C4' energy: -102.214 flat angles P-C4'-P energy: -52.114 tors. eta vs tors. theta energy: -111.106 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: 3 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1323.048800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.048800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.048800 (E_RNA) where: Base-Base interactions energy: -894.375 where: short stacking energy: -386.751 Base-Backbone interact. energy: -4.092 local terms energy: -424.582440 where: bonds (distance) C4'-P energy: -94.070 bonds (distance) P-C4' energy: -73.075 flat angles C4'-P-C4' energy: -88.953 flat angles P-C4'-P energy: -68.470 tors. eta vs tors. theta energy: -100.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1015.773934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.773934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.773934 (E_RNA) where: Base-Base interactions energy: -642.256 where: short stacking energy: -280.171 Base-Backbone interact. energy: -2.902 local terms energy: -370.616133 where: bonds (distance) C4'-P energy: -70.660 bonds (distance) P-C4' energy: -85.630 flat angles C4'-P-C4' energy: -94.248 flat angles P-C4'-P energy: -57.569 tors. eta vs tors. theta energy: -62.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -707.554655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.554655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.554655 (E_RNA) where: Base-Base interactions energy: -407.167 where: short stacking energy: -221.242 Base-Backbone interact. energy: 4.302 local terms energy: -304.689906 where: bonds (distance) C4'-P energy: -78.896 bonds (distance) P-C4' energy: -78.617 flat angles C4'-P-C4' energy: -74.175 flat angles P-C4'-P energy: -53.777 tors. eta vs tors. theta energy: -19.225 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: 9, replica: 7 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -668.554795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.554795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.554795 (E_RNA) where: Base-Base interactions energy: -351.399 where: short stacking energy: -187.859 Base-Backbone interact. energy: -1.976 local terms energy: -315.179438 where: bonds (distance) C4'-P energy: -84.308 bonds (distance) P-C4' energy: -89.464 flat angles C4'-P-C4' energy: -85.117 flat angles P-C4'-P energy: -30.998 tors. eta vs tors. theta energy: -25.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -473.531055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.531055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.531055 (E_RNA) where: Base-Base interactions energy: -227.909 where: short stacking energy: -144.215 Base-Backbone interact. energy: 0.128 local terms energy: -245.750341 where: bonds (distance) C4'-P energy: -73.316 bonds (distance) P-C4' energy: -74.907 flat angles C4'-P-C4' energy: -63.426 flat angles P-C4'-P energy: -35.479 tors. eta vs tors. theta energy: 1.377 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: 8 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1745.060165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.060165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.060165 (E_RNA) where: Base-Base interactions energy: -1199.969 where: short stacking energy: -519.855 Base-Backbone interact. energy: -2.300 local terms energy: -542.790990 where: bonds (distance) C4'-P energy: -94.805 bonds (distance) P-C4' energy: -97.201 flat angles C4'-P-C4' energy: -120.924 flat angles P-C4'-P energy: -79.550 tors. eta vs tors. theta energy: -150.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1675.662225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.662225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.662225 (E_RNA) where: Base-Base interactions energy: -1152.444 where: short stacking energy: -536.730 Base-Backbone interact. energy: -2.408 local terms energy: -520.809762 where: bonds (distance) C4'-P energy: -97.607 bonds (distance) P-C4' energy: -85.069 flat angles C4'-P-C4' energy: -115.598 flat angles P-C4'-P energy: -60.581 tors. eta vs tors. theta energy: -161.954 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: 3, replica: 2 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1571.981523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.981523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.981523 (E_RNA) where: Base-Base interactions energy: -1081.971 where: short stacking energy: -472.004 Base-Backbone interact. energy: 1.269 local terms energy: -491.279930 where: bonds (distance) C4'-P energy: -97.914 bonds (distance) P-C4' energy: -90.558 flat angles C4'-P-C4' energy: -108.356 flat angles P-C4'-P energy: -69.578 tors. eta vs tors. theta energy: -124.873 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: 143 Temperature: 1.050000 Total energy: -1545.897288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.897288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.897288 (E_RNA) where: Base-Base interactions energy: -1055.418 where: short stacking energy: -438.352 Base-Backbone interact. energy: -0.430 local terms energy: -490.049534 where: bonds (distance) C4'-P energy: -93.613 bonds (distance) P-C4' energy: -101.162 flat angles C4'-P-C4' energy: -92.269 flat angles P-C4'-P energy: -76.267 tors. eta vs tors. theta energy: -126.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1379.654334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.654334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.654334 (E_RNA) where: Base-Base interactions energy: -932.978 where: short stacking energy: -386.870 Base-Backbone interact. energy: -1.306 local terms energy: -445.370753 where: bonds (distance) C4'-P energy: -82.315 bonds (distance) P-C4' energy: -96.238 flat angles C4'-P-C4' energy: -97.028 flat angles P-C4'-P energy: -60.757 tors. eta vs tors. theta energy: -109.032 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: 3 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1325.016566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.016566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.016566 (E_RNA) where: Base-Base interactions energy: -919.861 where: short stacking energy: -402.994 Base-Backbone interact. energy: 2.783 local terms energy: -407.938036 where: bonds (distance) C4'-P energy: -77.266 bonds (distance) P-C4' energy: -73.500 flat angles C4'-P-C4' energy: -90.093 flat angles P-C4'-P energy: -61.666 tors. eta vs tors. theta energy: -105.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1050.139982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.139982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.139982 (E_RNA) where: Base-Base interactions energy: -673.179 where: short stacking energy: -330.564 Base-Backbone interact. energy: -2.647 local terms energy: -374.313632 where: bonds (distance) C4'-P energy: -78.533 bonds (distance) P-C4' energy: -76.048 flat angles C4'-P-C4' energy: -83.423 flat angles P-C4'-P energy: -59.004 tors. eta vs tors. theta energy: -77.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -713.964955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.964955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.964955 (E_RNA) where: Base-Base interactions energy: -415.774 where: short stacking energy: -207.616 Base-Backbone interact. energy: -0.850 local terms energy: -297.341379 where: bonds (distance) C4'-P energy: -89.488 bonds (distance) P-C4' energy: -81.577 flat angles C4'-P-C4' energy: -66.240 flat angles P-C4'-P energy: -38.319 tors. eta vs tors. theta energy: -21.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -628.448759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.448759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.448759 (E_RNA) where: Base-Base interactions energy: -324.527 where: short stacking energy: -167.022 Base-Backbone interact. energy: 3.300 local terms energy: -307.221328 where: bonds (distance) C4'-P energy: -79.537 bonds (distance) P-C4' energy: -78.506 flat angles C4'-P-C4' energy: -84.010 flat angles P-C4'-P energy: -53.101 tors. eta vs tors. theta energy: -12.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -458.616068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.616068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.616068 (E_RNA) where: Base-Base interactions energy: -222.141 where: short stacking energy: -155.773 Base-Backbone interact. energy: 0.446 local terms energy: -236.921180 where: bonds (distance) C4'-P energy: -72.762 bonds (distance) P-C4' energy: -67.016 flat angles C4'-P-C4' energy: -50.612 flat angles P-C4'-P energy: -50.037 tors. eta vs tors. theta energy: 3.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1755.588250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.588250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.588250 (E_RNA) where: Base-Base interactions energy: -1235.334 where: short stacking energy: -516.946 Base-Backbone interact. energy: 1.688 local terms energy: -521.943160 where: bonds (distance) C4'-P energy: -101.039 bonds (distance) P-C4' energy: -97.884 flat angles C4'-P-C4' energy: -113.756 flat angles P-C4'-P energy: -67.339 tors. eta vs tors. theta energy: -141.925 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: 2, replica: 6 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1682.129067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.129067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.129067 (E_RNA) where: Base-Base interactions energy: -1157.917 where: short stacking energy: -513.451 Base-Backbone interact. energy: -0.732 local terms energy: -523.480016 where: bonds (distance) C4'-P energy: -87.533 bonds (distance) P-C4' energy: -97.980 flat angles C4'-P-C4' energy: -105.991 flat angles P-C4'-P energy: -69.278 tors. eta vs tors. theta energy: -162.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1547.106711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.106711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.106711 (E_RNA) where: Base-Base interactions energy: -1070.093 where: short stacking energy: -447.670 Base-Backbone interact. energy: -3.161 local terms energy: -473.853076 where: bonds (distance) C4'-P energy: -88.401 bonds (distance) P-C4' energy: -88.580 flat angles C4'-P-C4' energy: -97.590 flat angles P-C4'-P energy: -67.261 tors. eta vs tors. theta energy: -132.020 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: 2 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1540.408024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.408024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.408024 (E_RNA) where: Base-Base interactions energy: -1071.671 where: short stacking energy: -454.403 Base-Backbone interact. energy: 0.100 local terms energy: -468.837137 where: bonds (distance) C4'-P energy: -92.519 bonds (distance) P-C4' energy: -75.922 flat angles C4'-P-C4' energy: -107.985 flat angles P-C4'-P energy: -59.825 tors. eta vs tors. theta energy: -132.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1440.359648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.359648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.359648 (E_RNA) where: Base-Base interactions energy: -988.191 where: short stacking energy: -408.604 Base-Backbone interact. energy: -0.665 local terms energy: -451.503252 where: bonds (distance) C4'-P energy: -81.500 bonds (distance) P-C4' energy: -85.006 flat angles C4'-P-C4' energy: -104.993 flat angles P-C4'-P energy: -65.256 tors. eta vs tors. theta energy: -114.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1306.937523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.937523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.937523 (E_RNA) where: Base-Base interactions energy: -878.811 where: short stacking energy: -356.302 Base-Backbone interact. energy: -3.399 local terms energy: -424.728251 where: bonds (distance) C4'-P energy: -77.208 bonds (distance) P-C4' energy: -90.569 flat angles C4'-P-C4' energy: -99.137 flat angles P-C4'-P energy: -63.235 tors. eta vs tors. theta energy: -94.579 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: 5 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -952.375610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.375610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.375610 (E_RNA) where: Base-Base interactions energy: -589.447 where: short stacking energy: -281.106 Base-Backbone interact. energy: -1.643 local terms energy: -361.285491 where: bonds (distance) C4'-P energy: -67.887 bonds (distance) P-C4' energy: -87.732 flat angles C4'-P-C4' energy: -86.494 flat angles P-C4'-P energy: -60.404 tors. eta vs tors. theta energy: -58.768 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: 1 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -726.510446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.510446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.510446 (E_RNA) where: Base-Base interactions energy: -408.079 where: short stacking energy: -209.244 Base-Backbone interact. energy: 0.103 local terms energy: -318.534839 where: bonds (distance) C4'-P energy: -73.526 bonds (distance) P-C4' energy: -87.159 flat angles C4'-P-C4' energy: -86.923 flat angles P-C4'-P energy: -44.460 tors. eta vs tors. theta energy: -26.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -527.403910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.403910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.403910 (E_RNA) where: Base-Base interactions energy: -241.541 where: short stacking energy: -154.727 Base-Backbone interact. energy: -2.767 local terms energy: -283.095907 where: bonds (distance) C4'-P energy: -84.007 bonds (distance) P-C4' energy: -84.975 flat angles C4'-P-C4' energy: -75.129 flat angles P-C4'-P energy: -34.559 tors. eta vs tors. theta energy: -4.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -586.023842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.023842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.023842 (E_RNA) where: Base-Base interactions energy: -334.968 where: short stacking energy: -178.937 Base-Backbone interact. energy: 2.110 local terms energy: -253.165489 where: bonds (distance) C4'-P energy: -67.629 bonds (distance) P-C4' energy: -85.312 flat angles C4'-P-C4' energy: -60.106 flat angles P-C4'-P energy: -27.463 tors. eta vs tors. theta energy: -12.656 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: 8 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1748.557838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.557838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.557838 (E_RNA) where: Base-Base interactions energy: -1216.609 where: short stacking energy: -524.529 Base-Backbone interact. energy: -4.731 local terms energy: -527.218190 where: bonds (distance) C4'-P energy: -92.223 bonds (distance) P-C4' energy: -97.028 flat angles C4'-P-C4' energy: -115.655 flat angles P-C4'-P energy: -80.236 tors. eta vs tors. theta energy: -142.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1700.686437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.686437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.686437 (E_RNA) where: Base-Base interactions energy: -1151.216 where: short stacking energy: -530.571 Base-Backbone interact. energy: 0.495 local terms energy: -549.964892 where: bonds (distance) C4'-P energy: -102.186 bonds (distance) P-C4' energy: -101.076 flat angles C4'-P-C4' energy: -115.337 flat angles P-C4'-P energy: -68.050 tors. eta vs tors. theta energy: -163.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1552.870260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.870260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.870260 (E_RNA) where: Base-Base interactions energy: -1077.103 where: short stacking energy: -436.337 Base-Backbone interact. energy: -1.860 local terms energy: -473.906542 where: bonds (distance) C4'-P energy: -77.518 bonds (distance) P-C4' energy: -92.996 flat angles C4'-P-C4' energy: -105.048 flat angles P-C4'-P energy: -75.005 tors. eta vs tors. theta energy: -123.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1462.676456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.676456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.676456 (E_RNA) where: Base-Base interactions energy: -1009.661 where: short stacking energy: -420.294 Base-Backbone interact. energy: -2.320 local terms energy: -450.695781 where: bonds (distance) C4'-P energy: -86.830 bonds (distance) P-C4' energy: -84.599 flat angles C4'-P-C4' energy: -94.653 flat angles P-C4'-P energy: -71.752 tors. eta vs tors. theta energy: -112.861 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: 2 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1481.549164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.549164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.549164 (E_RNA) where: Base-Base interactions energy: -1013.631 where: short stacking energy: -417.452 Base-Backbone interact. energy: -0.827 local terms energy: -467.091238 where: bonds (distance) C4'-P energy: -84.318 bonds (distance) P-C4' energy: -86.293 flat angles C4'-P-C4' energy: -98.245 flat angles P-C4'-P energy: -74.418 tors. eta vs tors. theta energy: -123.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1305.481365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.481365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.481365 (E_RNA) where: Base-Base interactions energy: -913.687 where: short stacking energy: -370.268 Base-Backbone interact. energy: -0.806 local terms energy: -390.988257 where: bonds (distance) C4'-P energy: -67.286 bonds (distance) P-C4' energy: -89.534 flat angles C4'-P-C4' energy: -98.467 flat angles P-C4'-P energy: -51.889 tors. eta vs tors. theta energy: -83.813 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: 5 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -944.194517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.194517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.194517 (E_RNA) where: Base-Base interactions energy: -597.034 where: short stacking energy: -284.291 Base-Backbone interact. energy: -0.063 local terms energy: -347.098286 where: bonds (distance) C4'-P energy: -89.694 bonds (distance) P-C4' energy: -81.549 flat angles C4'-P-C4' energy: -65.955 flat angles P-C4'-P energy: -52.423 tors. eta vs tors. theta energy: -57.477 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: 1 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -735.477443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.477443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.477443 (E_RNA) where: Base-Base interactions energy: -410.239 where: short stacking energy: -205.598 Base-Backbone interact. energy: -1.673 local terms energy: -323.565475 where: bonds (distance) C4'-P energy: -88.927 bonds (distance) P-C4' energy: -89.960 flat angles C4'-P-C4' energy: -71.359 flat angles P-C4'-P energy: -33.672 tors. eta vs tors. theta energy: -39.647 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: 9 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -556.929796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.929796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.929796 (E_RNA) where: Base-Base interactions energy: -260.394 where: short stacking energy: -169.344 Base-Backbone interact. energy: 4.160 local terms energy: -300.696349 where: bonds (distance) C4'-P energy: -82.453 bonds (distance) P-C4' energy: -69.382 flat angles C4'-P-C4' energy: -85.275 flat angles P-C4'-P energy: -50.841 tors. eta vs tors. theta energy: -12.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -628.949512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.949512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.949512 (E_RNA) where: Base-Base interactions energy: -325.710 where: short stacking energy: -180.762 Base-Backbone interact. energy: -1.690 local terms energy: -301.549081 where: bonds (distance) C4'-P energy: -89.579 bonds (distance) P-C4' energy: -87.627 flat angles C4'-P-C4' energy: -64.174 flat angles P-C4'-P energy: -38.867 tors. eta vs tors. theta energy: -21.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1710.412380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.412380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.412380 (E_RNA) where: Base-Base interactions energy: -1162.066 where: short stacking energy: -529.973 Base-Backbone interact. energy: -2.936 local terms energy: -545.410954 where: bonds (distance) C4'-P energy: -103.629 bonds (distance) P-C4' energy: -103.446 flat angles C4'-P-C4' energy: -105.587 flat angles P-C4'-P energy: -73.363 tors. eta vs tors. theta energy: -159.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1697.234953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.234953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.234953 (E_RNA) where: Base-Base interactions energy: -1177.832 where: short stacking energy: -502.363 Base-Backbone interact. energy: -2.312 local terms energy: -517.090361 where: bonds (distance) C4'-P energy: -92.166 bonds (distance) P-C4' energy: -94.680 flat angles C4'-P-C4' energy: -117.707 flat angles P-C4'-P energy: -72.778 tors. eta vs tors. theta energy: -139.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1540.914620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.914620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.914620 (E_RNA) where: Base-Base interactions energy: -1076.915 where: short stacking energy: -422.579 Base-Backbone interact. energy: -1.538 local terms energy: -462.461784 where: bonds (distance) C4'-P energy: -74.181 bonds (distance) P-C4' energy: -91.503 flat angles C4'-P-C4' energy: -104.253 flat angles P-C4'-P energy: -73.111 tors. eta vs tors. theta energy: -119.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1459.658855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.658855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.658855 (E_RNA) where: Base-Base interactions energy: -996.038 where: short stacking energy: -430.202 Base-Backbone interact. energy: -0.940 local terms energy: -462.681127 where: bonds (distance) C4'-P energy: -101.285 bonds (distance) P-C4' energy: -88.991 flat angles C4'-P-C4' energy: -93.984 flat angles P-C4'-P energy: -67.035 tors. eta vs tors. theta energy: -111.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1486.236211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.236211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.236211 (E_RNA) where: Base-Base interactions energy: -1032.097 where: short stacking energy: -450.705 Base-Backbone interact. energy: 0.882 local terms energy: -455.021074 where: bonds (distance) C4'-P energy: -79.797 bonds (distance) P-C4' energy: -86.310 flat angles C4'-P-C4' energy: -97.551 flat angles P-C4'-P energy: -63.962 tors. eta vs tors. theta energy: -127.401 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: 146 Temperature: 1.150000 Total energy: -1274.995156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.995156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.995156 (E_RNA) where: Base-Base interactions energy: -871.059 where: short stacking energy: -352.500 Base-Backbone interact. energy: -0.574 local terms energy: -403.362117 where: bonds (distance) C4'-P energy: -82.947 bonds (distance) P-C4' energy: -82.379 flat angles C4'-P-C4' energy: -88.966 flat angles P-C4'-P energy: -65.492 tors. eta vs tors. theta energy: -83.579 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: 5 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1020.885606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.885606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.885606 (E_RNA) where: Base-Base interactions energy: -644.613 where: short stacking energy: -282.027 Base-Backbone interact. energy: 2.856 local terms energy: -379.128357 where: bonds (distance) C4'-P energy: -90.355 bonds (distance) P-C4' energy: -79.586 flat angles C4'-P-C4' energy: -92.834 flat angles P-C4'-P energy: -52.624 tors. eta vs tors. theta energy: -63.729 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: 1 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -753.837913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.837913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.837913 (E_RNA) where: Base-Base interactions energy: -442.029 where: short stacking energy: -216.402 Base-Backbone interact. energy: -2.335 local terms energy: -309.473872 where: bonds (distance) C4'-P energy: -66.759 bonds (distance) P-C4' energy: -99.699 flat angles C4'-P-C4' energy: -71.128 flat angles P-C4'-P energy: -39.108 tors. eta vs tors. theta energy: -32.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -557.245966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.245966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.245966 (E_RNA) where: Base-Base interactions energy: -292.385 where: short stacking energy: -171.243 Base-Backbone interact. energy: 0.327 local terms energy: -265.187748 where: bonds (distance) C4'-P energy: -74.074 bonds (distance) P-C4' energy: -80.103 flat angles C4'-P-C4' energy: -73.653 flat angles P-C4'-P energy: -39.856 tors. eta vs tors. theta energy: 2.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -513.512739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.512739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.512739 (E_RNA) where: Base-Base interactions energy: -238.122 where: short stacking energy: -130.177 Base-Backbone interact. energy: -1.766 local terms energy: -273.624174 where: bonds (distance) C4'-P energy: -73.316 bonds (distance) P-C4' energy: -79.114 flat angles C4'-P-C4' energy: -68.186 flat angles P-C4'-P energy: -49.007 tors. eta vs tors. theta energy: -4.001 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: 6 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1748.697923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.697923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.697923 (E_RNA) where: Base-Base interactions energy: -1204.611 where: short stacking energy: -543.768 Base-Backbone interact. energy: 1.366 local terms energy: -545.452440 where: bonds (distance) C4'-P energy: -84.332 bonds (distance) P-C4' energy: -106.877 flat angles C4'-P-C4' energy: -117.072 flat angles P-C4'-P energy: -72.504 tors. eta vs tors. theta energy: -164.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1665.938213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.938213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.938213 (E_RNA) where: Base-Base interactions energy: -1177.545 where: short stacking energy: -487.143 Base-Backbone interact. energy: -0.395 local terms energy: -487.997662 where: bonds (distance) C4'-P energy: -75.824 bonds (distance) P-C4' energy: -88.122 flat angles C4'-P-C4' energy: -107.666 flat angles P-C4'-P energy: -73.766 tors. eta vs tors. theta energy: -142.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1555.507534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.507534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.507534 (E_RNA) where: Base-Base interactions energy: -1090.211 where: short stacking energy: -441.779 Base-Backbone interact. energy: -4.844 local terms energy: -460.451921 where: bonds (distance) C4'-P energy: -90.819 bonds (distance) P-C4' energy: -90.640 flat angles C4'-P-C4' energy: -94.591 flat angles P-C4'-P energy: -69.218 tors. eta vs tors. theta energy: -115.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1513.415274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.415274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.415274 (E_RNA) where: Base-Base interactions energy: -1039.672 where: short stacking energy: -460.142 Base-Backbone interact. energy: -3.157 local terms energy: -470.585552 where: bonds (distance) C4'-P energy: -69.462 bonds (distance) P-C4' energy: -82.462 flat angles C4'-P-C4' energy: -93.548 flat angles P-C4'-P energy: -72.191 tors. eta vs tors. theta energy: -152.922 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: 147 Temperature: 1.100000 Total energy: -1402.867926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.867926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.867926 (E_RNA) where: Base-Base interactions energy: -969.632 where: short stacking energy: -404.561 Base-Backbone interact. energy: -0.522 local terms energy: -432.714134 where: bonds (distance) C4'-P energy: -76.616 bonds (distance) P-C4' energy: -90.330 flat angles C4'-P-C4' energy: -85.332 flat angles P-C4'-P energy: -69.863 tors. eta vs tors. theta energy: -110.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1260.318893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.318893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.318893 (E_RNA) where: Base-Base interactions energy: -855.687 where: short stacking energy: -356.249 Base-Backbone interact. energy: -1.597 local terms energy: -403.034562 where: bonds (distance) C4'-P energy: -90.988 bonds (distance) P-C4' energy: -75.021 flat angles C4'-P-C4' energy: -98.613 flat angles P-C4'-P energy: -55.124 tors. eta vs tors. theta energy: -83.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1052.572271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.572271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.572271 (E_RNA) where: Base-Base interactions energy: -684.465 where: short stacking energy: -314.804 Base-Backbone interact. energy: -1.849 local terms energy: -366.258753 where: bonds (distance) C4'-P energy: -82.133 bonds (distance) P-C4' energy: -75.872 flat angles C4'-P-C4' energy: -79.800 flat angles P-C4'-P energy: -59.406 tors. eta vs tors. theta energy: -69.048 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: 1 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -755.668575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.668575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.668575 (E_RNA) where: Base-Base interactions energy: -454.134 where: short stacking energy: -205.368 Base-Backbone interact. energy: -2.377 local terms energy: -299.157458 where: bonds (distance) C4'-P energy: -90.196 bonds (distance) P-C4' energy: -81.297 flat angles C4'-P-C4' energy: -67.074 flat angles P-C4'-P energy: -37.404 tors. eta vs tors. theta energy: -23.186 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: 7 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -573.466187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.466187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.466187 (E_RNA) where: Base-Base interactions energy: -280.034 where: short stacking energy: -168.084 Base-Backbone interact. energy: -3.239 local terms energy: -290.193227 where: bonds (distance) C4'-P energy: -92.898 bonds (distance) P-C4' energy: -73.740 flat angles C4'-P-C4' energy: -83.985 flat angles P-C4'-P energy: -36.232 tors. eta vs tors. theta energy: -3.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -469.799327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.799327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.799327 (E_RNA) where: Base-Base interactions energy: -217.482 where: short stacking energy: -114.848 Base-Backbone interact. energy: -0.349 local terms energy: -251.967672 where: bonds (distance) C4'-P energy: -78.518 bonds (distance) P-C4' energy: -81.263 flat angles C4'-P-C4' energy: -63.222 flat angles P-C4'-P energy: -45.104 tors. eta vs tors. theta energy: 16.140 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: 6 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1726.934119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.934119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.934119 (E_RNA) where: Base-Base interactions energy: -1193.928 where: short stacking energy: -531.683 Base-Backbone interact. energy: -0.399 local terms energy: -532.606595 where: bonds (distance) C4'-P energy: -99.232 bonds (distance) P-C4' energy: -95.011 flat angles C4'-P-C4' energy: -106.834 flat angles P-C4'-P energy: -71.944 tors. eta vs tors. theta energy: -159.587 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: 8 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1677.747883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.747883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.747883 (E_RNA) where: Base-Base interactions energy: -1171.822 where: short stacking energy: -489.559 Base-Backbone interact. energy: 0.425 local terms energy: -506.350662 where: bonds (distance) C4'-P energy: -98.705 bonds (distance) P-C4' energy: -94.111 flat angles C4'-P-C4' energy: -103.448 flat angles P-C4'-P energy: -71.604 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: 3, replica: 2 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1572.897485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.897485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.897485 (E_RNA) where: Base-Base interactions energy: -1067.586 where: short stacking energy: -489.029 Base-Backbone interact. energy: -2.240 local terms energy: -503.071507 where: bonds (distance) C4'-P energy: -98.949 bonds (distance) P-C4' energy: -84.294 flat angles C4'-P-C4' energy: -107.417 flat angles P-C4'-P energy: -59.384 tors. eta vs tors. theta energy: -153.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1516.114939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.114939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.114939 (E_RNA) where: Base-Base interactions energy: -1059.918 where: short stacking energy: -431.234 Base-Backbone interact. energy: -0.764 local terms energy: -455.432553 where: bonds (distance) C4'-P energy: -81.527 bonds (distance) P-C4' energy: -91.538 flat angles C4'-P-C4' energy: -105.669 flat angles P-C4'-P energy: -56.811 tors. eta vs tors. theta energy: -119.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1397.757972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.757972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.757972 (E_RNA) where: Base-Base interactions energy: -959.188 where: short stacking energy: -403.889 Base-Backbone interact. energy: -1.697 local terms energy: -436.872819 where: bonds (distance) C4'-P energy: -80.056 bonds (distance) P-C4' energy: -90.803 flat angles C4'-P-C4' energy: -94.850 flat angles P-C4'-P energy: -73.662 tors. eta vs tors. theta energy: -97.501 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: 3 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1241.149691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.149691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.149691 (E_RNA) where: Base-Base interactions energy: -831.651 where: short stacking energy: -378.691 Base-Backbone interact. energy: -0.059 local terms energy: -409.439038 where: bonds (distance) C4'-P energy: -79.700 bonds (distance) P-C4' energy: -86.426 flat angles C4'-P-C4' energy: -85.850 flat angles P-C4'-P energy: -54.112 tors. eta vs tors. theta energy: -103.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -996.239105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.239105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.239105 (E_RNA) where: Base-Base interactions energy: -615.893 where: short stacking energy: -309.254 Base-Backbone interact. energy: -1.282 local terms energy: -379.063312 where: bonds (distance) C4'-P energy: -80.093 bonds (distance) P-C4' energy: -96.141 flat angles C4'-P-C4' energy: -80.813 flat angles P-C4'-P energy: -54.492 tors. eta vs tors. theta energy: -67.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -800.711961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.711961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.711961 (E_RNA) where: Base-Base interactions energy: -491.446 where: short stacking energy: -215.004 Base-Backbone interact. energy: -0.398 local terms energy: -308.868467 where: bonds (distance) C4'-P energy: -59.035 bonds (distance) P-C4' energy: -85.469 flat angles C4'-P-C4' energy: -79.179 flat angles P-C4'-P energy: -53.423 tors. eta vs tors. theta energy: -31.762 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: 9 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -528.772258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.772258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.772258 (E_RNA) where: Base-Base interactions energy: -219.013 where: short stacking energy: -135.239 Base-Backbone interact. energy: -1.191 local terms energy: -308.567504 where: bonds (distance) C4'-P energy: -77.554 bonds (distance) P-C4' energy: -92.331 flat angles C4'-P-C4' energy: -88.782 flat angles P-C4'-P energy: -37.461 tors. eta vs tors. theta energy: -12.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -569.631256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.631256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.631256 (E_RNA) where: Base-Base interactions energy: -298.444 where: short stacking energy: -151.539 Base-Backbone interact. energy: 0.599 local terms energy: -271.786090 where: bonds (distance) C4'-P energy: -70.134 bonds (distance) P-C4' energy: -83.444 flat angles C4'-P-C4' energy: -79.847 flat angles P-C4'-P energy: -33.869 tors. eta vs tors. theta energy: -4.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1752.253634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.253634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.253634 (E_RNA) where: Base-Base interactions energy: -1222.157 where: short stacking energy: -544.462 Base-Backbone interact. energy: -3.017 local terms energy: -527.079773 where: bonds (distance) C4'-P energy: -95.022 bonds (distance) P-C4' energy: -84.573 flat angles C4'-P-C4' energy: -113.814 flat angles P-C4'-P energy: -76.109 tors. eta vs tors. theta energy: -157.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1647.313575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.313575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.313575 (E_RNA) where: Base-Base interactions energy: -1168.320 where: short stacking energy: -476.192 Base-Backbone interact. energy: -2.787 local terms energy: -476.206656 where: bonds (distance) C4'-P energy: -84.516 bonds (distance) P-C4' energy: -95.170 flat angles C4'-P-C4' energy: -97.906 flat angles P-C4'-P energy: -63.345 tors. eta vs tors. theta energy: -135.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1515.882259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.882259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.882259 (E_RNA) where: Base-Base interactions energy: -1035.866 where: short stacking energy: -483.287 Base-Backbone interact. energy: -2.551 local terms energy: -477.465954 where: bonds (distance) C4'-P energy: -88.746 bonds (distance) P-C4' energy: -97.533 flat angles C4'-P-C4' energy: -99.923 flat angles P-C4'-P energy: -55.201 tors. eta vs tors. theta energy: -136.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1473.116417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.116417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.116417 (E_RNA) where: Base-Base interactions energy: -1017.228 where: short stacking energy: -413.488 Base-Backbone interact. energy: 0.247 local terms energy: -456.135354 where: bonds (distance) C4'-P energy: -88.394 bonds (distance) P-C4' energy: -74.401 flat angles C4'-P-C4' energy: -108.949 flat angles P-C4'-P energy: -73.641 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: 5, replica: 10 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1492.002104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.002104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.002104 (E_RNA) where: Base-Base interactions energy: -1022.627 where: short stacking energy: -401.987 Base-Backbone interact. energy: -1.620 local terms energy: -467.755303 where: bonds (distance) C4'-P energy: -90.820 bonds (distance) P-C4' energy: -85.225 flat angles C4'-P-C4' energy: -100.823 flat angles P-C4'-P energy: -68.481 tors. eta vs tors. theta energy: -122.406 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: 149 Temperature: 1.150000 Total energy: -1215.320496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.320496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.320496 (E_RNA) where: Base-Base interactions energy: -810.505 where: short stacking energy: -345.442 Base-Backbone interact. energy: -2.362 local terms energy: -402.453525 where: bonds (distance) C4'-P energy: -87.267 bonds (distance) P-C4' energy: -88.700 flat angles C4'-P-C4' energy: -93.088 flat angles P-C4'-P energy: -51.930 tors. eta vs tors. theta energy: -81.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1018.819271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.819271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.819271 (E_RNA) where: Base-Base interactions energy: -640.174 where: short stacking energy: -288.500 Base-Backbone interact. energy: -2.165 local terms energy: -376.479846 where: bonds (distance) C4'-P energy: -67.559 bonds (distance) P-C4' energy: -94.696 flat angles C4'-P-C4' energy: -77.893 flat angles P-C4'-P energy: -73.190 tors. eta vs tors. theta energy: -63.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -759.822628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.822628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.822628 (E_RNA) where: Base-Base interactions energy: -446.067 where: short stacking energy: -213.670 Base-Backbone interact. energy: 2.748 local terms energy: -316.504417 where: bonds (distance) C4'-P energy: -68.608 bonds (distance) P-C4' energy: -84.308 flat angles C4'-P-C4' energy: -84.749 flat angles P-C4'-P energy: -48.298 tors. eta vs tors. theta energy: -30.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -524.032673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.032673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.032673 (E_RNA) where: Base-Base interactions energy: -218.064 where: short stacking energy: -141.479 Base-Backbone interact. energy: -0.304 local terms energy: -305.664390 where: bonds (distance) C4'-P energy: -77.650 bonds (distance) P-C4' energy: -81.080 flat angles C4'-P-C4' energy: -84.843 flat angles P-C4'-P energy: -62.563 tors. eta vs tors. theta energy: 0.472 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: 7 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -560.909751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.909751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.909751 (E_RNA) where: Base-Base interactions energy: -269.558 where: short stacking energy: -153.386 Base-Backbone interact. energy: 0.629 local terms energy: -291.980449 where: bonds (distance) C4'-P energy: -78.675 bonds (distance) P-C4' energy: -83.762 flat angles C4'-P-C4' energy: -76.909 flat angles P-C4'-P energy: -36.728 tors. eta vs tors. theta energy: -15.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1734.785003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.785003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.785003 (E_RNA) where: Base-Base interactions energy: -1184.708 where: short stacking energy: -516.497 Base-Backbone interact. energy: -1.597 local terms energy: -548.480204 where: bonds (distance) C4'-P energy: -88.648 bonds (distance) P-C4' energy: -103.357 flat angles C4'-P-C4' energy: -108.969 flat angles P-C4'-P energy: -85.985 tors. eta vs tors. theta energy: -161.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1676.080967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.080967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.080967 (E_RNA) where: Base-Base interactions energy: -1176.933 where: short stacking energy: -470.588 Base-Backbone interact. energy: -3.900 local terms energy: -495.248051 where: bonds (distance) C4'-P energy: -86.554 bonds (distance) P-C4' energy: -91.312 flat angles C4'-P-C4' energy: -106.422 flat angles P-C4'-P energy: -71.796 tors. eta vs tors. theta energy: -139.164 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: 2 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1556.344662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.344662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.344662 (E_RNA) where: Base-Base interactions energy: -1061.581 where: short stacking energy: -474.906 Base-Backbone interact. energy: 1.454 local terms energy: -496.217334 where: bonds (distance) C4'-P energy: -95.171 bonds (distance) P-C4' energy: -86.067 flat angles C4'-P-C4' energy: -103.460 flat angles P-C4'-P energy: -70.566 tors. eta vs tors. theta energy: -140.954 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: 4 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1503.842475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.842475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.842475 (E_RNA) where: Base-Base interactions energy: -1047.644 where: short stacking energy: -445.126 Base-Backbone interact. energy: -3.328 local terms energy: -452.870656 where: bonds (distance) C4'-P energy: -82.469 bonds (distance) P-C4' energy: -85.875 flat angles C4'-P-C4' energy: -98.823 flat angles P-C4'-P energy: -64.478 tors. eta vs tors. theta energy: -121.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1444.655863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.655863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.655863 (E_RNA) where: Base-Base interactions energy: -981.309 where: short stacking energy: -412.416 Base-Backbone interact. energy: -1.089 local terms energy: -462.257798 where: bonds (distance) C4'-P energy: -89.414 bonds (distance) P-C4' energy: -80.977 flat angles C4'-P-C4' energy: -94.258 flat angles P-C4'-P energy: -70.882 tors. eta vs tors. theta energy: -126.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1293.290525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.290525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.290525 (E_RNA) where: Base-Base interactions energy: -868.134 where: short stacking energy: -382.131 Base-Backbone interact. energy: -1.511 local terms energy: -423.645086 where: bonds (distance) C4'-P energy: -81.192 bonds (distance) P-C4' energy: -86.098 flat angles C4'-P-C4' energy: -96.275 flat angles P-C4'-P energy: -56.819 tors. eta vs tors. theta energy: -103.260 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: 5 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1019.419194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.419194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.419194 (E_RNA) where: Base-Base interactions energy: -654.082 where: short stacking energy: -299.833 Base-Backbone interact. energy: -1.492 local terms energy: -363.845138 where: bonds (distance) C4'-P energy: -74.274 bonds (distance) P-C4' energy: -93.011 flat angles C4'-P-C4' energy: -92.456 flat angles P-C4'-P energy: -44.772 tors. eta vs tors. theta energy: -59.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -754.764540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.764540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.764540 (E_RNA) where: Base-Base interactions energy: -434.392 where: short stacking energy: -247.839 Base-Backbone interact. energy: -1.452 local terms energy: -318.920724 where: bonds (distance) C4'-P energy: -85.218 bonds (distance) P-C4' energy: -88.478 flat angles C4'-P-C4' energy: -74.443 flat angles P-C4'-P energy: -47.900 tors. eta vs tors. theta energy: -22.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -615.196573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.196573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.196573 (E_RNA) where: Base-Base interactions energy: -299.751 where: short stacking energy: -184.601 Base-Backbone interact. energy: 1.796 local terms energy: -317.241691 where: bonds (distance) C4'-P energy: -82.606 bonds (distance) P-C4' energy: -84.414 flat angles C4'-P-C4' energy: -80.731 flat angles P-C4'-P energy: -56.688 tors. eta vs tors. theta energy: -12.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -475.064429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.064429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.064429 (E_RNA) where: Base-Base interactions energy: -184.495 where: short stacking energy: -113.815 Base-Backbone interact. energy: -1.802 local terms energy: -288.767561 where: bonds (distance) C4'-P energy: -73.425 bonds (distance) P-C4' energy: -83.237 flat angles C4'-P-C4' energy: -85.208 flat angles P-C4'-P energy: -50.954 tors. eta vs tors. theta energy: 4.057 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: 6 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1726.543739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.543739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.543739 (E_RNA) where: Base-Base interactions energy: -1196.671 where: short stacking energy: -529.671 Base-Backbone interact. energy: -1.226 local terms energy: -528.646686 where: bonds (distance) C4'-P energy: -98.184 bonds (distance) P-C4' energy: -95.342 flat angles C4'-P-C4' energy: -112.633 flat angles P-C4'-P energy: -70.143 tors. eta vs tors. theta energy: -152.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1666.038194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.038194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.038194 (E_RNA) where: Base-Base interactions energy: -1158.101 where: short stacking energy: -484.040 Base-Backbone interact. energy: -3.647 local terms energy: -504.290173 where: bonds (distance) C4'-P energy: -88.131 bonds (distance) P-C4' energy: -92.104 flat angles C4'-P-C4' energy: -112.991 flat angles P-C4'-P energy: -71.142 tors. eta vs tors. theta energy: -139.922 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: 2 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1572.429692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.429692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.429692 (E_RNA) where: Base-Base interactions energy: -1109.553 where: short stacking energy: -477.466 Base-Backbone interact. energy: -1.458 local terms energy: -461.419184 where: bonds (distance) C4'-P energy: -87.052 bonds (distance) P-C4' energy: -73.627 flat angles C4'-P-C4' energy: -97.967 flat angles P-C4'-P energy: -60.538 tors. eta vs tors. theta energy: -142.236 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: 4, replica: 4 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1498.747985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.747985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.747985 (E_RNA) where: Base-Base interactions energy: -1041.607 where: short stacking energy: -429.115 Base-Backbone interact. energy: -0.941 local terms energy: -456.200201 where: bonds (distance) C4'-P energy: -80.712 bonds (distance) P-C4' energy: -97.872 flat angles C4'-P-C4' energy: -98.002 flat angles P-C4'-P energy: -62.351 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: 5, replica: 10 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1477.993332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.993332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.993332 (E_RNA) where: Base-Base interactions energy: -1020.985 where: short stacking energy: -417.391 Base-Backbone interact. energy: -3.680 local terms energy: -453.328084 where: bonds (distance) C4'-P energy: -87.387 bonds (distance) P-C4' energy: -81.843 flat angles C4'-P-C4' energy: -103.471 flat angles P-C4'-P energy: -66.428 tors. eta vs tors. theta energy: -114.199 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: 3 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1243.357229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.357229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.357229 (E_RNA) where: Base-Base interactions energy: -819.611 where: short stacking energy: -351.122 Base-Backbone interact. energy: 0.176 local terms energy: -423.921596 where: bonds (distance) C4'-P energy: -87.088 bonds (distance) P-C4' energy: -84.475 flat angles C4'-P-C4' energy: -97.392 flat angles P-C4'-P energy: -52.594 tors. eta vs tors. theta energy: -102.372 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: 5 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1053.246123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.246123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.246123 (E_RNA) where: Base-Base interactions energy: -690.615 where: short stacking energy: -310.755 Base-Backbone interact. energy: 0.146 local terms energy: -362.777151 where: bonds (distance) C4'-P energy: -78.082 bonds (distance) P-C4' energy: -72.271 flat angles C4'-P-C4' energy: -85.579 flat angles P-C4'-P energy: -57.143 tors. eta vs tors. theta energy: -69.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -761.862239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.862239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.862239 (E_RNA) where: Base-Base interactions energy: -453.189 where: short stacking energy: -213.502 Base-Backbone interact. energy: -2.804 local terms energy: -305.869844 where: bonds (distance) C4'-P energy: -75.957 bonds (distance) P-C4' energy: -89.024 flat angles C4'-P-C4' energy: -69.231 flat angles P-C4'-P energy: -41.102 tors. eta vs tors. theta energy: -30.555 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: 7 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -570.379638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.379638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.379638 (E_RNA) where: Base-Base interactions energy: -306.766 where: short stacking energy: -181.235 Base-Backbone interact. energy: -0.253 local terms energy: -263.360917 where: bonds (distance) C4'-P energy: -72.077 bonds (distance) P-C4' energy: -76.779 flat angles C4'-P-C4' energy: -75.048 flat angles P-C4'-P energy: -34.197 tors. eta vs tors. theta energy: -5.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -517.599097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.599097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.599097 (E_RNA) where: Base-Base interactions energy: -271.627 where: short stacking energy: -161.033 Base-Backbone interact. energy: -3.210 local terms energy: -242.761532 where: bonds (distance) C4'-P energy: -74.411 bonds (distance) P-C4' energy: -82.052 flat angles C4'-P-C4' energy: -43.252 flat angles P-C4'-P energy: -45.862 tors. eta vs tors. theta energy: 2.815 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: 6 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1742.694418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.694418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.694418 (E_RNA) where: Base-Base interactions energy: -1186.214 where: short stacking energy: -548.938 Base-Backbone interact. energy: -0.857 local terms energy: -555.623068 where: bonds (distance) C4'-P energy: -94.316 bonds (distance) P-C4' energy: -102.023 flat angles C4'-P-C4' energy: -113.619 flat angles P-C4'-P energy: -83.161 tors. eta vs tors. theta energy: -162.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1665.456937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.456937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.456937 (E_RNA) where: Base-Base interactions energy: -1157.092 where: short stacking energy: -492.376 Base-Backbone interact. energy: -3.804 local terms energy: -504.560673 where: bonds (distance) C4'-P energy: -95.966 bonds (distance) P-C4' energy: -84.439 flat angles C4'-P-C4' energy: -111.207 flat angles P-C4'-P energy: -68.816 tors. eta vs tors. theta energy: -144.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1544.235575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.235575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.235575 (E_RNA) where: Base-Base interactions energy: -1060.312 where: short stacking energy: -439.889 Base-Backbone interact. energy: 3.809 local terms energy: -487.732423 where: bonds (distance) C4'-P energy: -86.789 bonds (distance) P-C4' energy: -91.035 flat angles C4'-P-C4' energy: -105.070 flat angles P-C4'-P energy: -72.948 tors. eta vs tors. theta energy: -131.890 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: 152 Temperature: 1.050000 Total energy: -1490.292718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.292718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.292718 (E_RNA) where: Base-Base interactions energy: -1031.071 where: short stacking energy: -432.735 Base-Backbone interact. energy: 0.656 local terms energy: -459.878209 where: bonds (distance) C4'-P energy: -76.190 bonds (distance) P-C4' energy: -100.920 flat angles C4'-P-C4' energy: -99.661 flat angles P-C4'-P energy: -68.589 tors. eta vs tors. theta energy: -114.519 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: 5, replica: 10 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1441.690169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.690169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.690169 (E_RNA) where: Base-Base interactions energy: -983.127 where: short stacking energy: -382.404 Base-Backbone interact. energy: -0.981 local terms energy: -457.582214 where: bonds (distance) C4'-P energy: -90.347 bonds (distance) P-C4' energy: -82.219 flat angles C4'-P-C4' energy: -105.942 flat angles P-C4'-P energy: -63.222 tors. eta vs tors. theta energy: -115.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1265.262758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.262758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.262758 (E_RNA) where: Base-Base interactions energy: -862.078 where: short stacking energy: -353.991 Base-Backbone interact. energy: -3.415 local terms energy: -399.769528 where: bonds (distance) C4'-P energy: -78.317 bonds (distance) P-C4' energy: -92.220 flat angles C4'-P-C4' energy: -79.364 flat angles P-C4'-P energy: -61.595 tors. eta vs tors. theta energy: -88.275 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: 5 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1003.222601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.222601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.222601 (E_RNA) where: Base-Base interactions energy: -636.091 where: short stacking energy: -293.293 Base-Backbone interact. energy: -0.026 local terms energy: -367.105539 where: bonds (distance) C4'-P energy: -85.931 bonds (distance) P-C4' energy: -85.334 flat angles C4'-P-C4' energy: -81.592 flat angles P-C4'-P energy: -47.542 tors. eta vs tors. theta energy: -66.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -786.439516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.439516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.439516 (E_RNA) where: Base-Base interactions energy: -455.219 where: short stacking energy: -248.584 Base-Backbone interact. energy: -1.772 local terms energy: -329.448457 where: bonds (distance) C4'-P energy: -83.391 bonds (distance) P-C4' energy: -77.575 flat angles C4'-P-C4' energy: -81.088 flat angles P-C4'-P energy: -37.254 tors. eta vs tors. theta energy: -50.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -632.935944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.935944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.935944 (E_RNA) where: Base-Base interactions energy: -337.375 where: short stacking energy: -199.938 Base-Backbone interact. energy: 1.558 local terms energy: -297.118774 where: bonds (distance) C4'-P energy: -85.990 bonds (distance) P-C4' energy: -72.870 flat angles C4'-P-C4' energy: -83.444 flat angles P-C4'-P energy: -38.125 tors. eta vs tors. theta energy: -16.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -560.134901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.134901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.134901 (E_RNA) where: Base-Base interactions energy: -294.806 where: short stacking energy: -174.444 Base-Backbone interact. energy: -2.458 local terms energy: -262.870796 where: bonds (distance) C4'-P energy: -67.657 bonds (distance) P-C4' energy: -81.521 flat angles C4'-P-C4' energy: -70.220 flat angles P-C4'-P energy: -36.815 tors. eta vs tors. theta energy: -6.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1737.855293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.855293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.855293 (E_RNA) where: Base-Base interactions energy: -1194.216 where: short stacking energy: -556.082 Base-Backbone interact. energy: -1.945 local terms energy: -541.694067 where: bonds (distance) C4'-P energy: -87.652 bonds (distance) P-C4' energy: -106.559 flat angles C4'-P-C4' energy: -108.179 flat angles P-C4'-P energy: -76.237 tors. eta vs tors. theta energy: -163.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1688.057351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.057351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.057351 (E_RNA) where: Base-Base interactions energy: -1178.415 where: short stacking energy: -510.489 Base-Backbone interact. energy: -0.327 local terms energy: -509.315255 where: bonds (distance) C4'-P energy: -92.081 bonds (distance) P-C4' energy: -92.127 flat angles C4'-P-C4' energy: -103.570 flat angles P-C4'-P energy: -77.670 tors. eta vs tors. theta energy: -143.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1600.558384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.558384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.558384 (E_RNA) where: Base-Base interactions energy: -1104.424 where: short stacking energy: -471.647 Base-Backbone interact. energy: -2.456 local terms energy: -493.678751 where: bonds (distance) C4'-P energy: -79.676 bonds (distance) P-C4' energy: -97.670 flat angles C4'-P-C4' energy: -108.393 flat angles P-C4'-P energy: -65.604 tors. eta vs tors. theta energy: -142.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1530.381887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.381887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.381887 (E_RNA) where: Base-Base interactions energy: -1080.779 where: short stacking energy: -416.328 Base-Backbone interact. energy: -2.810 local terms energy: -446.792385 where: bonds (distance) C4'-P energy: -86.645 bonds (distance) P-C4' energy: -86.708 flat angles C4'-P-C4' energy: -93.088 flat angles P-C4'-P energy: -64.977 tors. eta vs tors. theta energy: -115.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1471.650416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.650416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.650416 (E_RNA) where: Base-Base interactions energy: -1008.468 where: short stacking energy: -411.533 Base-Backbone interact. energy: -1.759 local terms energy: -461.423192 where: bonds (distance) C4'-P energy: -84.585 bonds (distance) P-C4' energy: -88.869 flat angles C4'-P-C4' energy: -105.648 flat angles P-C4'-P energy: -65.727 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: 153 Temperature: 1.150000 Total energy: -1256.257222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.257222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.257222 (E_RNA) where: Base-Base interactions energy: -858.117 where: short stacking energy: -362.574 Base-Backbone interact. energy: 1.039 local terms energy: -399.179205 where: bonds (distance) C4'-P energy: -89.482 bonds (distance) P-C4' energy: -70.242 flat angles C4'-P-C4' energy: -96.818 flat angles P-C4'-P energy: -49.079 tors. eta vs tors. theta energy: -93.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1030.642903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.642903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.642903 (E_RNA) where: Base-Base interactions energy: -649.138 where: short stacking energy: -295.638 Base-Backbone interact. energy: 1.791 local terms energy: -383.296133 where: bonds (distance) C4'-P energy: -86.997 bonds (distance) P-C4' energy: -73.529 flat angles C4'-P-C4' energy: -93.338 flat angles P-C4'-P energy: -64.756 tors. eta vs tors. theta energy: -64.676 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: 1 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -805.925197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.925197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.925197 (E_RNA) where: Base-Base interactions energy: -482.476 where: short stacking energy: -230.578 Base-Backbone interact. energy: -0.152 local terms energy: -323.296997 where: bonds (distance) C4'-P energy: -67.962 bonds (distance) P-C4' energy: -95.070 flat angles C4'-P-C4' energy: -86.202 flat angles P-C4'-P energy: -47.341 tors. eta vs tors. theta energy: -26.722 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: 153 Temperature: 1.300000 Total energy: -707.918334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.918334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.918334 (E_RNA) where: Base-Base interactions energy: -410.263 where: short stacking energy: -206.053 Base-Backbone interact. energy: -2.099 local terms energy: -295.555979 where: bonds (distance) C4'-P energy: -64.561 bonds (distance) P-C4' energy: -96.705 flat angles C4'-P-C4' energy: -87.633 flat angles P-C4'-P energy: -44.411 tors. eta vs tors. theta energy: -2.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -534.274411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.274411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.274411 (E_RNA) where: Base-Base interactions energy: -280.854 where: short stacking energy: -148.919 Base-Backbone interact. energy: -1.364 local terms energy: -252.056703 where: bonds (distance) C4'-P energy: -69.475 bonds (distance) P-C4' energy: -77.246 flat angles C4'-P-C4' energy: -58.307 flat angles P-C4'-P energy: -38.043 tors. eta vs tors. theta energy: -8.985 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: 8 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1725.097493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.097493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.097493 (E_RNA) where: Base-Base interactions energy: -1223.041 where: short stacking energy: -518.704 Base-Backbone interact. energy: 2.552 local terms energy: -504.608412 where: bonds (distance) C4'-P energy: -96.136 bonds (distance) P-C4' energy: -97.863 flat angles C4'-P-C4' energy: -106.660 flat angles P-C4'-P energy: -63.842 tors. eta vs tors. theta energy: -140.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1675.470051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.470051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.470051 (E_RNA) where: Base-Base interactions energy: -1156.308 where: short stacking energy: -521.596 Base-Backbone interact. energy: 0.710 local terms energy: -519.871202 where: bonds (distance) C4'-P energy: -88.522 bonds (distance) P-C4' energy: -86.692 flat angles C4'-P-C4' energy: -111.595 flat angles P-C4'-P energy: -77.307 tors. eta vs tors. theta energy: -155.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1604.534036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.534036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.534036 (E_RNA) where: Base-Base interactions energy: -1099.834 where: short stacking energy: -483.987 Base-Backbone interact. energy: -1.827 local terms energy: -502.873506 where: bonds (distance) C4'-P energy: -88.840 bonds (distance) P-C4' energy: -90.184 flat angles C4'-P-C4' energy: -106.805 flat angles P-C4'-P energy: -73.487 tors. eta vs tors. theta energy: -143.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1532.275415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.275415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.275415 (E_RNA) where: Base-Base interactions energy: -1070.939 where: short stacking energy: -423.864 Base-Backbone interact. energy: -1.253 local terms energy: -460.083312 where: bonds (distance) C4'-P energy: -82.813 bonds (distance) P-C4' energy: -87.313 flat angles C4'-P-C4' energy: -105.056 flat angles P-C4'-P energy: -63.624 tors. eta vs tors. theta energy: -121.277 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: 4 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1512.171279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.171279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.171279 (E_RNA) where: Base-Base interactions energy: -1043.607 where: short stacking energy: -427.481 Base-Backbone interact. energy: 0.381 local terms energy: -468.944354 where: bonds (distance) C4'-P energy: -77.688 bonds (distance) P-C4' energy: -92.779 flat angles C4'-P-C4' energy: -103.281 flat angles P-C4'-P energy: -75.029 tors. eta vs tors. theta energy: -120.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1283.322910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.322910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.322910 (E_RNA) where: Base-Base interactions energy: -878.239 where: short stacking energy: -394.057 Base-Backbone interact. energy: -0.462 local terms energy: -404.622204 where: bonds (distance) C4'-P energy: -83.680 bonds (distance) P-C4' energy: -82.872 flat angles C4'-P-C4' energy: -105.562 flat angles P-C4'-P energy: -34.967 tors. eta vs tors. theta energy: -97.542 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: 5 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1041.146095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.146095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.146095 (E_RNA) where: Base-Base interactions energy: -675.064 where: short stacking energy: -326.501 Base-Backbone interact. energy: 0.942 local terms energy: -367.024090 where: bonds (distance) C4'-P energy: -72.887 bonds (distance) P-C4' energy: -90.563 flat angles C4'-P-C4' energy: -86.442 flat angles P-C4'-P energy: -53.578 tors. eta vs tors. theta energy: -63.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -859.743142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.743142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.743142 (E_RNA) where: Base-Base interactions energy: -525.553 where: short stacking energy: -235.154 Base-Backbone interact. energy: -1.037 local terms energy: -333.152812 where: bonds (distance) C4'-P energy: -70.375 bonds (distance) P-C4' energy: -85.305 flat angles C4'-P-C4' energy: -85.393 flat angles P-C4'-P energy: -49.215 tors. eta vs tors. theta energy: -42.865 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: 7 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -703.370474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.370474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.370474 (E_RNA) where: Base-Base interactions energy: -387.967 where: short stacking energy: -203.485 Base-Backbone interact. energy: -1.456 local terms energy: -313.947539 where: bonds (distance) C4'-P energy: -85.739 bonds (distance) P-C4' energy: -91.267 flat angles C4'-P-C4' energy: -74.522 flat angles P-C4'-P energy: -38.644 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: 9 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -605.869227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.869227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.869227 (E_RNA) where: Base-Base interactions energy: -296.038 where: short stacking energy: -170.317 Base-Backbone interact. energy: -2.823 local terms energy: -307.008207 where: bonds (distance) C4'-P energy: -82.975 bonds (distance) P-C4' energy: -76.422 flat angles C4'-P-C4' energy: -88.075 flat angles P-C4'-P energy: -50.786 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: 8 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1736.668440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.668440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.668440 (E_RNA) where: Base-Base interactions energy: -1215.779 where: short stacking energy: -510.538 Base-Backbone interact. energy: -1.722 local terms energy: -519.167492 where: bonds (distance) C4'-P energy: -91.528 bonds (distance) P-C4' energy: -97.535 flat angles C4'-P-C4' energy: -113.071 flat angles P-C4'-P energy: -71.339 tors. eta vs tors. theta energy: -145.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1687.293554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.293554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.293554 (E_RNA) where: Base-Base interactions energy: -1158.627 where: short stacking energy: -519.508 Base-Backbone interact. energy: -0.954 local terms energy: -527.712706 where: bonds (distance) C4'-P energy: -95.024 bonds (distance) P-C4' energy: -96.718 flat angles C4'-P-C4' energy: -110.964 flat angles P-C4'-P energy: -72.702 tors. eta vs tors. theta energy: -152.304 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: 3, replica: 2 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1598.570008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.570008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.570008 (E_RNA) where: Base-Base interactions energy: -1099.287 where: short stacking energy: -489.787 Base-Backbone interact. energy: -0.840 local terms energy: -498.442434 where: bonds (distance) C4'-P energy: -88.980 bonds (distance) P-C4' energy: -95.635 flat angles C4'-P-C4' energy: -101.907 flat angles P-C4'-P energy: -67.920 tors. eta vs tors. theta energy: -144.001 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: 10 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1542.633498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.633498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.633498 (E_RNA) where: Base-Base interactions energy: -1069.148 where: short stacking energy: -444.157 Base-Backbone interact. energy: 1.126 local terms energy: -474.611992 where: bonds (distance) C4'-P energy: -85.331 bonds (distance) P-C4' energy: -86.285 flat angles C4'-P-C4' energy: -105.130 flat angles P-C4'-P energy: -69.330 tors. eta vs tors. theta energy: -128.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1463.544470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.544470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.544470 (E_RNA) where: Base-Base interactions energy: -1019.693 where: short stacking energy: -418.878 Base-Backbone interact. energy: 0.444 local terms energy: -444.295839 where: bonds (distance) C4'-P energy: -90.721 bonds (distance) P-C4' energy: -75.977 flat angles C4'-P-C4' energy: -94.848 flat angles P-C4'-P energy: -67.965 tors. eta vs tors. theta energy: -114.785 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: 3 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1278.218287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.218287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.218287 (E_RNA) where: Base-Base interactions energy: -841.479 where: short stacking energy: -384.265 Base-Backbone interact. energy: 0.981 local terms energy: -437.720105 where: bonds (distance) C4'-P energy: -91.523 bonds (distance) P-C4' energy: -87.285 flat angles C4'-P-C4' energy: -96.837 flat angles P-C4'-P energy: -60.455 tors. eta vs tors. theta energy: -101.620 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: 5 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -980.693957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.693957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.693957 (E_RNA) where: Base-Base interactions energy: -634.891 where: short stacking energy: -279.840 Base-Backbone interact. energy: 0.818 local terms energy: -346.621393 where: bonds (distance) C4'-P energy: -76.054 bonds (distance) P-C4' energy: -88.078 flat angles C4'-P-C4' energy: -92.390 flat angles P-C4'-P energy: -48.713 tors. eta vs tors. theta energy: -41.386 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: 1 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -876.195159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.195159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.195159 (E_RNA) where: Base-Base interactions energy: -550.123 where: short stacking energy: -293.063 Base-Backbone interact. energy: 0.428 local terms energy: -326.500009 where: bonds (distance) C4'-P energy: -89.015 bonds (distance) P-C4' energy: -70.043 flat angles C4'-P-C4' energy: -79.332 flat angles P-C4'-P energy: -21.167 tors. eta vs tors. theta energy: -66.943 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: 155 Temperature: 1.300000 Total energy: -696.927709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.927709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.927709 (E_RNA) where: Base-Base interactions energy: -382.434 where: short stacking energy: -186.225 Base-Backbone interact. energy: 4.021 local terms energy: -318.515280 where: bonds (distance) C4'-P energy: -85.156 bonds (distance) P-C4' energy: -85.067 flat angles C4'-P-C4' energy: -81.899 flat angles P-C4'-P energy: -47.186 tors. eta vs tors. theta energy: -19.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -628.002846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.002846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.002846 (E_RNA) where: Base-Base interactions energy: -322.322 where: short stacking energy: -178.360 Base-Backbone interact. energy: 2.920 local terms energy: -308.601490 where: bonds (distance) C4'-P energy: -86.322 bonds (distance) P-C4' energy: -85.139 flat angles C4'-P-C4' energy: -78.829 flat angles P-C4'-P energy: -43.330 tors. eta vs tors. theta energy: -14.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1717.874306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.874306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.874306 (E_RNA) where: Base-Base interactions energy: -1190.164 where: short stacking energy: -500.533 Base-Backbone interact. energy: -4.232 local terms energy: -523.477846 where: bonds (distance) C4'-P energy: -93.317 bonds (distance) P-C4' energy: -104.414 flat angles C4'-P-C4' energy: -109.610 flat angles P-C4'-P energy: -75.065 tors. eta vs tors. theta energy: -141.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1696.206644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.206644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.206644 (E_RNA) where: Base-Base interactions energy: -1171.737 where: short stacking energy: -509.038 Base-Backbone interact. energy: -0.826 local terms energy: -523.644171 where: bonds (distance) C4'-P energy: -90.984 bonds (distance) P-C4' energy: -91.573 flat angles C4'-P-C4' energy: -109.246 flat angles P-C4'-P energy: -73.293 tors. eta vs tors. theta energy: -158.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1574.608530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.608530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.608530 (E_RNA) where: Base-Base interactions energy: -1107.560 where: short stacking energy: -448.737 Base-Backbone interact. energy: -2.712 local terms energy: -464.336426 where: bonds (distance) C4'-P energy: -88.861 bonds (distance) P-C4' energy: -87.971 flat angles C4'-P-C4' energy: -102.741 flat angles P-C4'-P energy: -57.235 tors. eta vs tors. theta energy: -127.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1574.840109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.840109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.840109 (E_RNA) where: Base-Base interactions energy: -1091.789 where: short stacking energy: -466.668 Base-Backbone interact. energy: 0.628 local terms energy: -483.679520 where: bonds (distance) C4'-P energy: -86.017 bonds (distance) P-C4' energy: -90.093 flat angles C4'-P-C4' energy: -105.946 flat angles P-C4'-P energy: -63.600 tors. eta vs tors. theta energy: -138.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1471.669334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.669334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.669334 (E_RNA) where: Base-Base interactions energy: -1027.763 where: short stacking energy: -413.895 Base-Backbone interact. energy: -1.888 local terms energy: -442.018257 where: bonds (distance) C4'-P energy: -71.385 bonds (distance) P-C4' energy: -84.036 flat angles C4'-P-C4' energy: -100.645 flat angles P-C4'-P energy: -71.594 tors. eta vs tors. theta energy: -114.358 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: 3 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1257.375134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.375134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.375134 (E_RNA) where: Base-Base interactions energy: -821.299 where: short stacking energy: -367.463 Base-Backbone interact. energy: -2.053 local terms energy: -434.022549 where: bonds (distance) C4'-P energy: -76.713 bonds (distance) P-C4' energy: -91.835 flat angles C4'-P-C4' energy: -93.859 flat angles P-C4'-P energy: -64.960 tors. eta vs tors. theta energy: -106.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -986.956063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.956063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.956063 (E_RNA) where: Base-Base interactions energy: -601.233 where: short stacking energy: -297.906 Base-Backbone interact. energy: -2.606 local terms energy: -383.117336 where: bonds (distance) C4'-P energy: -79.578 bonds (distance) P-C4' energy: -90.977 flat angles C4'-P-C4' energy: -97.119 flat angles P-C4'-P energy: -53.465 tors. eta vs tors. theta energy: -61.978 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: 1 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -844.721831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.721831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.721831 (E_RNA) where: Base-Base interactions energy: -524.531 where: short stacking energy: -241.773 Base-Backbone interact. energy: -0.696 local terms energy: -319.494510 where: bonds (distance) C4'-P energy: -71.237 bonds (distance) P-C4' energy: -84.416 flat angles C4'-P-C4' energy: -70.815 flat angles P-C4'-P energy: -51.415 tors. eta vs tors. theta energy: -41.611 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: 7 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -704.805031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.805031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.805031 (E_RNA) where: Base-Base interactions energy: -419.705 where: short stacking energy: -214.995 Base-Backbone interact. energy: 1.525 local terms energy: -286.625206 where: bonds (distance) C4'-P energy: -57.216 bonds (distance) P-C4' energy: -91.273 flat angles C4'-P-C4' energy: -69.419 flat angles P-C4'-P energy: -42.445 tors. eta vs tors. theta energy: -26.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -629.453962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.453962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.453962 (E_RNA) where: Base-Base interactions energy: -349.977 where: short stacking energy: -182.895 Base-Backbone interact. energy: -1.654 local terms energy: -277.822442 where: bonds (distance) C4'-P energy: -81.458 bonds (distance) P-C4' energy: -54.642 flat angles C4'-P-C4' energy: -82.263 flat angles P-C4'-P energy: -41.305 tors. eta vs tors. theta energy: -18.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1722.720911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.720911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.720911 (E_RNA) where: Base-Base interactions energy: -1197.713 where: short stacking energy: -515.874 Base-Backbone interact. energy: -2.910 local terms energy: -522.097855 where: bonds (distance) C4'-P energy: -101.783 bonds (distance) P-C4' energy: -94.776 flat angles C4'-P-C4' energy: -108.165 flat angles P-C4'-P energy: -74.917 tors. eta vs tors. theta energy: -142.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1690.575313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.575313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.575313 (E_RNA) where: Base-Base interactions energy: -1138.374 where: short stacking energy: -513.705 Base-Backbone interact. energy: -1.057 local terms energy: -551.143872 where: bonds (distance) C4'-P energy: -97.294 bonds (distance) P-C4' energy: -99.035 flat angles C4'-P-C4' energy: -110.990 flat angles P-C4'-P energy: -82.493 tors. eta vs tors. theta energy: -161.332 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: 3, replica: 10 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1598.072342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.072342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.072342 (E_RNA) where: Base-Base interactions energy: -1130.367 where: short stacking energy: -463.183 Base-Backbone interact. energy: -3.113 local terms energy: -464.593122 where: bonds (distance) C4'-P energy: -81.285 bonds (distance) P-C4' energy: -83.566 flat angles C4'-P-C4' energy: -102.967 flat angles P-C4'-P energy: -64.518 tors. eta vs tors. theta energy: -132.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1602.416972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.416972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.416972 (E_RNA) where: Base-Base interactions energy: -1110.190 where: short stacking energy: -480.933 Base-Backbone interact. energy: 0.332 local terms energy: -492.558669 where: bonds (distance) C4'-P energy: -86.007 bonds (distance) P-C4' energy: -94.541 flat angles C4'-P-C4' energy: -109.055 flat angles P-C4'-P energy: -61.210 tors. eta vs tors. theta energy: -141.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1497.191934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.191934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.191934 (E_RNA) where: Base-Base interactions energy: -1028.605 where: short stacking energy: -433.998 Base-Backbone interact. energy: -2.126 local terms energy: -466.460643 where: bonds (distance) C4'-P energy: -82.524 bonds (distance) P-C4' energy: -89.238 flat angles C4'-P-C4' energy: -107.736 flat angles P-C4'-P energy: -63.789 tors. eta vs tors. theta energy: -123.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1259.445156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.445156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.445156 (E_RNA) where: Base-Base interactions energy: -857.165 where: short stacking energy: -374.071 Base-Backbone interact. energy: -1.364 local terms energy: -400.916429 where: bonds (distance) C4'-P energy: -73.998 bonds (distance) P-C4' energy: -77.567 flat angles C4'-P-C4' energy: -88.169 flat angles P-C4'-P energy: -62.085 tors. eta vs tors. theta energy: -99.097 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: 5 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -982.805028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.805028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.805028 (E_RNA) where: Base-Base interactions energy: -617.581 where: short stacking energy: -302.121 Base-Backbone interact. energy: -1.310 local terms energy: -363.914323 where: bonds (distance) C4'-P energy: -84.317 bonds (distance) P-C4' energy: -82.946 flat angles C4'-P-C4' energy: -86.006 flat angles P-C4'-P energy: -45.774 tors. eta vs tors. theta energy: -64.872 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: 157 Temperature: 1.250000 Total energy: -867.827195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.827195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.827195 (E_RNA) where: Base-Base interactions energy: -538.981 where: short stacking energy: -257.774 Base-Backbone interact. energy: 0.591 local terms energy: -329.436975 where: bonds (distance) C4'-P energy: -67.990 bonds (distance) P-C4' energy: -80.428 flat angles C4'-P-C4' energy: -86.784 flat angles P-C4'-P energy: -42.497 tors. eta vs tors. theta energy: -51.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -717.227612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.227612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.227612 (E_RNA) where: Base-Base interactions energy: -409.825 where: short stacking energy: -183.601 Base-Backbone interact. energy: -1.110 local terms energy: -306.292936 where: bonds (distance) C4'-P energy: -76.333 bonds (distance) P-C4' energy: -75.374 flat angles C4'-P-C4' energy: -78.880 flat angles P-C4'-P energy: -53.347 tors. eta vs tors. theta energy: -22.358 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: 9 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -626.806015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.806015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.806015 (E_RNA) where: Base-Base interactions energy: -323.259 where: short stacking energy: -175.952 Base-Backbone interact. energy: -0.200 local terms energy: -303.346999 where: bonds (distance) C4'-P energy: -72.237 bonds (distance) P-C4' energy: -77.652 flat angles C4'-P-C4' energy: -73.750 flat angles P-C4'-P energy: -50.448 tors. eta vs tors. theta energy: -29.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1740.724754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.724754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.724754 (E_RNA) where: Base-Base interactions energy: -1194.091 where: short stacking energy: -539.992 Base-Backbone interact. energy: -0.084 local terms energy: -546.549050 where: bonds (distance) C4'-P energy: -80.962 bonds (distance) P-C4' energy: -93.900 flat angles C4'-P-C4' energy: -125.819 flat angles P-C4'-P energy: -80.895 tors. eta vs tors. theta energy: -164.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1697.547889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.547889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.547889 (E_RNA) where: Base-Base interactions energy: -1184.132 where: short stacking energy: -488.642 Base-Backbone interact. energy: -2.479 local terms energy: -510.937070 where: bonds (distance) C4'-P energy: -85.572 bonds (distance) P-C4' energy: -89.330 flat angles C4'-P-C4' energy: -112.571 flat angles P-C4'-P energy: -84.351 tors. eta vs tors. theta energy: -139.114 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: 10 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1599.672362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.672362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.672362 (E_RNA) where: Base-Base interactions energy: -1104.720 where: short stacking energy: -456.531 Base-Backbone interact. energy: -1.859 local terms energy: -493.093403 where: bonds (distance) C4'-P energy: -80.310 bonds (distance) P-C4' energy: -92.978 flat angles C4'-P-C4' energy: -109.407 flat angles P-C4'-P energy: -73.762 tors. eta vs tors. theta energy: -136.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1552.328381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.328381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.328381 (E_RNA) where: Base-Base interactions energy: -1084.787 where: short stacking energy: -465.235 Base-Backbone interact. energy: -2.265 local terms energy: -465.276938 where: bonds (distance) C4'-P energy: -88.687 bonds (distance) P-C4' energy: -77.111 flat angles C4'-P-C4' energy: -103.577 flat angles P-C4'-P energy: -64.482 tors. eta vs tors. theta energy: -131.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -1454.784029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.784029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.784029 (E_RNA) where: Base-Base interactions energy: -983.062 where: short stacking energy: -427.478 Base-Backbone interact. energy: 0.211 local terms energy: -471.933230 where: bonds (distance) C4'-P energy: -86.693 bonds (distance) P-C4' energy: -96.755 flat angles C4'-P-C4' energy: -111.491 flat angles P-C4'-P energy: -67.102 tors. eta vs tors. theta energy: -109.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1300.140748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.140748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.140748 (E_RNA) where: Base-Base interactions energy: -854.302 where: short stacking energy: -396.237 Base-Backbone interact. energy: -2.353 local terms energy: -443.486123 where: bonds (distance) C4'-P energy: -87.542 bonds (distance) P-C4' energy: -83.316 flat angles C4'-P-C4' energy: -98.002 flat angles P-C4'-P energy: -69.535 tors. eta vs tors. theta energy: -105.091 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: 5 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -990.246843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.246843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.246843 (E_RNA) where: Base-Base interactions energy: -617.313 where: short stacking energy: -280.953 Base-Backbone interact. energy: -1.578 local terms energy: -371.356108 where: bonds (distance) C4'-P energy: -82.864 bonds (distance) P-C4' energy: -87.887 flat angles C4'-P-C4' energy: -92.113 flat angles P-C4'-P energy: -45.242 tors. eta vs tors. theta energy: -63.250 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: 1 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -851.077213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.077213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.077213 (E_RNA) where: Base-Base interactions energy: -546.507 where: short stacking energy: -285.032 Base-Backbone interact. energy: -2.599 local terms energy: -301.971232 where: bonds (distance) C4'-P energy: -63.163 bonds (distance) P-C4' energy: -66.482 flat angles C4'-P-C4' energy: -79.760 flat angles P-C4'-P energy: -38.058 tors. eta vs tors. theta energy: -54.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -748.973268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.973268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.973268 (E_RNA) where: Base-Base interactions energy: -431.337 where: short stacking energy: -208.503 Base-Backbone interact. energy: 1.571 local terms energy: -319.207142 where: bonds (distance) C4'-P energy: -85.487 bonds (distance) P-C4' energy: -82.417 flat angles C4'-P-C4' energy: -79.621 flat angles P-C4'-P energy: -39.829 tors. eta vs tors. theta energy: -31.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -636.507145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.507145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.507145 (E_RNA) where: Base-Base interactions energy: -365.994 where: short stacking energy: -163.377 Base-Backbone interact. energy: 3.994 local terms energy: -274.507481 where: bonds (distance) C4'-P energy: -76.595 bonds (distance) P-C4' energy: -97.082 flat angles C4'-P-C4' energy: -63.540 flat angles P-C4'-P energy: -31.651 tors. eta vs tors. theta energy: -5.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1727.693887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.693887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.693887 (E_RNA) where: Base-Base interactions energy: -1162.960 where: short stacking energy: -519.530 Base-Backbone interact. energy: -0.331 local terms energy: -564.402754 where: bonds (distance) C4'-P energy: -105.457 bonds (distance) P-C4' energy: -97.737 flat angles C4'-P-C4' energy: -120.203 flat angles P-C4'-P energy: -77.460 tors. eta vs tors. theta energy: -163.546 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: 8 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1695.001945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.001945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.001945 (E_RNA) where: Base-Base interactions energy: -1166.389 where: short stacking energy: -493.767 Base-Backbone interact. energy: -1.240 local terms energy: -527.373019 where: bonds (distance) C4'-P energy: -92.403 bonds (distance) P-C4' energy: -98.285 flat angles C4'-P-C4' energy: -118.368 flat angles P-C4'-P energy: -75.463 tors. eta vs tors. theta energy: -142.854 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: 10 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1591.830469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.830469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.830469 (E_RNA) where: Base-Base interactions energy: -1103.690 where: short stacking energy: -454.132 Base-Backbone interact. energy: -3.579 local terms energy: -484.561259 where: bonds (distance) C4'-P energy: -100.911 bonds (distance) P-C4' energy: -81.169 flat angles C4'-P-C4' energy: -101.978 flat angles P-C4'-P energy: -75.301 tors. eta vs tors. theta energy: -125.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1554.628793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.628793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.628793 (E_RNA) where: Base-Base interactions energy: -1060.035 where: short stacking energy: -434.931 Base-Backbone interact. energy: 0.274 local terms energy: -494.867676 where: bonds (distance) C4'-P energy: -99.331 bonds (distance) P-C4' energy: -99.630 flat angles C4'-P-C4' energy: -97.677 flat angles P-C4'-P energy: -69.271 tors. eta vs tors. theta energy: -128.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1446.635952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.635952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.635952 (E_RNA) where: Base-Base interactions energy: -994.341 where: short stacking energy: -419.870 Base-Backbone interact. energy: -3.949 local terms energy: -448.345330 where: bonds (distance) C4'-P energy: -86.278 bonds (distance) P-C4' energy: -87.769 flat angles C4'-P-C4' energy: -100.538 flat angles P-C4'-P energy: -68.874 tors. eta vs tors. theta energy: -104.887 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: 3 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1307.888155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.888155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.888155 (E_RNA) where: Base-Base interactions energy: -870.079 where: short stacking energy: -385.752 Base-Backbone interact. energy: -3.305 local terms energy: -434.503408 where: bonds (distance) C4'-P energy: -98.960 bonds (distance) P-C4' energy: -90.462 flat angles C4'-P-C4' energy: -95.192 flat angles P-C4'-P energy: -53.675 tors. eta vs tors. theta energy: -96.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -975.526066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.526066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.526066 (E_RNA) where: Base-Base interactions energy: -605.037 where: short stacking energy: -278.404 Base-Backbone interact. energy: 1.386 local terms energy: -371.874999 where: bonds (distance) C4'-P energy: -86.364 bonds (distance) P-C4' energy: -91.956 flat angles C4'-P-C4' energy: -74.288 flat angles P-C4'-P energy: -67.644 tors. eta vs tors. theta energy: -51.623 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: 7 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -815.147200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.147200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.147200 (E_RNA) where: Base-Base interactions energy: -482.296 where: short stacking energy: -225.314 Base-Backbone interact. energy: 0.468 local terms energy: -333.319019 where: bonds (distance) C4'-P energy: -77.175 bonds (distance) P-C4' energy: -92.396 flat angles C4'-P-C4' energy: -78.316 flat angles P-C4'-P energy: -54.748 tors. eta vs tors. theta energy: -30.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -737.960889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.960889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.960889 (E_RNA) where: Base-Base interactions energy: -421.620 where: short stacking energy: -213.305 Base-Backbone interact. energy: -2.617 local terms energy: -313.723584 where: bonds (distance) C4'-P energy: -68.778 bonds (distance) P-C4' energy: -97.337 flat angles C4'-P-C4' energy: -54.516 flat angles P-C4'-P energy: -60.408 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: 9 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -601.153016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.153016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.153016 (E_RNA) where: Base-Base interactions energy: -334.486 where: short stacking energy: -167.237 Base-Backbone interact. energy: 2.813 local terms energy: -269.479898 where: bonds (distance) C4'-P energy: -75.991 bonds (distance) P-C4' energy: -71.153 flat angles C4'-P-C4' energy: -80.262 flat angles P-C4'-P energy: -40.820 tors. eta vs tors. theta energy: -1.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1739.616686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.616686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.616686 (E_RNA) where: Base-Base interactions energy: -1199.191 where: short stacking energy: -526.624 Base-Backbone interact. energy: -1.556 local terms energy: -538.869743 where: bonds (distance) C4'-P energy: -106.742 bonds (distance) P-C4' energy: -90.246 flat angles C4'-P-C4' energy: -108.644 flat angles P-C4'-P energy: -72.690 tors. eta vs tors. theta energy: -160.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1664.314657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.314657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.314657 (E_RNA) where: Base-Base interactions energy: -1159.247 where: short stacking energy: -495.947 Base-Backbone interact. energy: -2.658 local terms energy: -502.409531 where: bonds (distance) C4'-P energy: -93.320 bonds (distance) P-C4' energy: -80.948 flat angles C4'-P-C4' energy: -105.608 flat angles P-C4'-P energy: -83.410 tors. eta vs tors. theta energy: -139.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1601.485748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.485748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.485748 (E_RNA) where: Base-Base interactions energy: -1108.752 where: short stacking energy: -460.547 Base-Backbone interact. energy: -3.006 local terms energy: -489.727829 where: bonds (distance) C4'-P energy: -93.026 bonds (distance) P-C4' energy: -83.605 flat angles C4'-P-C4' energy: -102.783 flat angles P-C4'-P energy: -71.265 tors. eta vs tors. theta energy: -139.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1542.559302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.559302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.559302 (E_RNA) where: Base-Base interactions energy: -1059.479 where: short stacking energy: -455.159 Base-Backbone interact. energy: -2.205 local terms energy: -480.874738 where: bonds (distance) C4'-P energy: -91.556 bonds (distance) P-C4' energy: -93.416 flat angles C4'-P-C4' energy: -104.879 flat angles P-C4'-P energy: -52.520 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: 5, replica: 4 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1493.783446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.783446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.783446 (E_RNA) where: Base-Base interactions energy: -1040.740 where: short stacking energy: -454.650 Base-Backbone interact. energy: 2.482 local terms energy: -455.525041 where: bonds (distance) C4'-P energy: -98.800 bonds (distance) P-C4' energy: -75.868 flat angles C4'-P-C4' energy: -95.440 flat angles P-C4'-P energy: -54.772 tors. eta vs tors. theta energy: -130.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1267.975784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.975784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.975784 (E_RNA) where: Base-Base interactions energy: -865.503 where: short stacking energy: -375.689 Base-Backbone interact. energy: -1.442 local terms energy: -401.030999 where: bonds (distance) C4'-P energy: -82.807 bonds (distance) P-C4' energy: -75.456 flat angles C4'-P-C4' energy: -85.557 flat angles P-C4'-P energy: -64.100 tors. eta vs tors. theta energy: -93.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -979.079165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.079165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.079165 (E_RNA) where: Base-Base interactions energy: -608.357 where: short stacking energy: -282.119 Base-Backbone interact. energy: -0.213 local terms energy: -370.509506 where: bonds (distance) C4'-P energy: -92.288 bonds (distance) P-C4' energy: -94.788 flat angles C4'-P-C4' energy: -78.560 flat angles P-C4'-P energy: -49.618 tors. eta vs tors. theta energy: -55.255 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: 7 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -814.883410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.883410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.883410 (E_RNA) where: Base-Base interactions energy: -478.512 where: short stacking energy: -224.688 Base-Backbone interact. energy: -1.446 local terms energy: -334.925302 where: bonds (distance) C4'-P energy: -81.433 bonds (distance) P-C4' energy: -83.873 flat angles C4'-P-C4' energy: -81.839 flat angles P-C4'-P energy: -51.706 tors. eta vs tors. theta energy: -36.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -643.482500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.482500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.482500 (E_RNA) where: Base-Base interactions energy: -368.649 where: short stacking energy: -178.893 Base-Backbone interact. energy: 1.628 local terms energy: -276.461644 where: bonds (distance) C4'-P energy: -74.722 bonds (distance) P-C4' energy: -82.290 flat angles C4'-P-C4' energy: -68.605 flat angles P-C4'-P energy: -38.255 tors. eta vs tors. theta energy: -12.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -685.921266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.921266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.921266 (E_RNA) where: Base-Base interactions energy: -392.075 where: short stacking energy: -195.832 Base-Backbone interact. energy: 2.790 local terms energy: -296.635623 where: bonds (distance) C4'-P energy: -79.649 bonds (distance) P-C4' energy: -85.752 flat angles C4'-P-C4' energy: -76.011 flat angles P-C4'-P energy: -38.866 tors. eta vs tors. theta energy: -16.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1733.692970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.692970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.692970 (E_RNA) where: Base-Base interactions energy: -1191.420 where: short stacking energy: -543.280 Base-Backbone interact. energy: -2.209 local terms energy: -540.063674 where: bonds (distance) C4'-P energy: -90.631 bonds (distance) P-C4' energy: -85.069 flat angles C4'-P-C4' energy: -119.169 flat angles P-C4'-P energy: -80.955 tors. eta vs tors. theta energy: -164.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1656.287996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.287996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.287996 (E_RNA) where: Base-Base interactions energy: -1130.289 where: short stacking energy: -484.270 Base-Backbone interact. energy: -5.378 local terms energy: -520.621326 where: bonds (distance) C4'-P energy: -88.346 bonds (distance) P-C4' energy: -95.226 flat angles C4'-P-C4' energy: -104.718 flat angles P-C4'-P energy: -90.053 tors. eta vs tors. theta energy: -142.277 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: 10 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1574.473151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.473151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.473151 (E_RNA) where: Base-Base interactions energy: -1086.375 where: short stacking energy: -437.535 Base-Backbone interact. energy: -0.309 local terms energy: -487.789344 where: bonds (distance) C4'-P energy: -85.643 bonds (distance) P-C4' energy: -95.666 flat angles C4'-P-C4' energy: -105.326 flat angles P-C4'-P energy: -74.768 tors. eta vs tors. theta energy: -126.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1547.697505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.697505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.697505 (E_RNA) where: Base-Base interactions energy: -1064.356 where: short stacking energy: -459.607 Base-Backbone interact. energy: 3.225 local terms energy: -486.566370 where: bonds (distance) C4'-P energy: -84.903 bonds (distance) P-C4' energy: -91.270 flat angles C4'-P-C4' energy: -106.856 flat angles P-C4'-P energy: -62.192 tors. eta vs tors. theta energy: -141.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1503.986790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.986790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.986790 (E_RNA) where: Base-Base interactions energy: -1028.037 where: short stacking energy: -453.474 Base-Backbone interact. energy: 0.519 local terms energy: -476.468344 where: bonds (distance) C4'-P energy: -84.598 bonds (distance) P-C4' energy: -89.707 flat angles C4'-P-C4' energy: -105.951 flat angles P-C4'-P energy: -60.764 tors. eta vs tors. theta energy: -135.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1289.640596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.640596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.640596 (E_RNA) where: Base-Base interactions energy: -877.366 where: short stacking energy: -365.233 Base-Backbone interact. energy: 4.195 local terms energy: -416.470021 where: bonds (distance) C4'-P energy: -95.007 bonds (distance) P-C4' energy: -78.659 flat angles C4'-P-C4' energy: -94.581 flat angles P-C4'-P energy: -57.987 tors. eta vs tors. theta energy: -90.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -918.542620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.542620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.542620 (E_RNA) where: Base-Base interactions energy: -570.252 where: short stacking energy: -255.597 Base-Backbone interact. energy: -1.273 local terms energy: -347.017613 where: bonds (distance) C4'-P energy: -63.071 bonds (distance) P-C4' energy: -88.544 flat angles C4'-P-C4' energy: -83.062 flat angles P-C4'-P energy: -57.980 tors. eta vs tors. theta energy: -54.360 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: 7 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -854.137669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.137669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.137669 (E_RNA) where: Base-Base interactions energy: -509.992 where: short stacking energy: -238.629 Base-Backbone interact. energy: -0.422 local terms energy: -343.723262 where: bonds (distance) C4'-P energy: -77.983 bonds (distance) P-C4' energy: -83.313 flat angles C4'-P-C4' energy: -88.422 flat angles P-C4'-P energy: -50.624 tors. eta vs tors. theta energy: -43.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -711.954859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.954859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.954859 (E_RNA) where: Base-Base interactions energy: -416.409 where: short stacking energy: -201.077 Base-Backbone interact. energy: 1.365 local terms energy: -296.910521 where: bonds (distance) C4'-P energy: -74.944 bonds (distance) P-C4' energy: -79.023 flat angles C4'-P-C4' energy: -84.958 flat angles P-C4'-P energy: -37.323 tors. eta vs tors. theta energy: -20.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -668.860029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.860029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.860029 (E_RNA) where: Base-Base interactions energy: -385.766 where: short stacking energy: -190.313 Base-Backbone interact. energy: -0.419 local terms energy: -282.674874 where: bonds (distance) C4'-P energy: -69.091 bonds (distance) P-C4' energy: -78.580 flat angles C4'-P-C4' energy: -82.196 flat angles P-C4'-P energy: -48.797 tors. eta vs tors. theta energy: -4.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1714.504000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.504000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.504000 (E_RNA) where: Base-Base interactions energy: -1180.634 where: short stacking energy: -530.675 Base-Backbone interact. energy: -2.178 local terms energy: -531.692804 where: bonds (distance) C4'-P energy: -96.275 bonds (distance) P-C4' energy: -97.287 flat angles C4'-P-C4' energy: -105.431 flat angles P-C4'-P energy: -73.676 tors. eta vs tors. theta energy: -159.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1663.315801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.315801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.315801 (E_RNA) where: Base-Base interactions energy: -1172.951 where: short stacking energy: -505.047 Base-Backbone interact. energy: -3.433 local terms energy: -486.931640 where: bonds (distance) C4'-P energy: -86.246 bonds (distance) P-C4' energy: -77.261 flat angles C4'-P-C4' energy: -104.479 flat angles P-C4'-P energy: -75.175 tors. eta vs tors. theta energy: -143.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1584.759785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.759785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.759785 (E_RNA) where: Base-Base interactions energy: -1112.818 where: short stacking energy: -454.313 Base-Backbone interact. energy: -2.372 local terms energy: -469.568867 where: bonds (distance) C4'-P energy: -83.919 bonds (distance) P-C4' energy: -85.999 flat angles C4'-P-C4' energy: -102.648 flat angles P-C4'-P energy: -68.077 tors. eta vs tors. theta energy: -128.927 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: 2 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1496.919425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.919425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.919425 (E_RNA) where: Base-Base interactions energy: -1023.076 where: short stacking energy: -432.226 Base-Backbone interact. energy: -0.654 local terms energy: -473.189985 where: bonds (distance) C4'-P energy: -77.393 bonds (distance) P-C4' energy: -85.689 flat angles C4'-P-C4' energy: -101.061 flat angles P-C4'-P energy: -74.169 tors. eta vs tors. theta energy: -134.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1469.901759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.901759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.901759 (E_RNA) where: Base-Base interactions energy: -1030.486 where: short stacking energy: -422.778 Base-Backbone interact. energy: -0.035 local terms energy: -439.381534 where: bonds (distance) C4'-P energy: -71.720 bonds (distance) P-C4' energy: -63.177 flat angles C4'-P-C4' energy: -107.527 flat angles P-C4'-P energy: -71.034 tors. eta vs tors. theta energy: -125.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1266.943686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.943686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.943686 (E_RNA) where: Base-Base interactions energy: -839.591 where: short stacking energy: -351.040 Base-Backbone interact. energy: -2.669 local terms energy: -424.683339 where: bonds (distance) C4'-P energy: -82.291 bonds (distance) P-C4' energy: -89.072 flat angles C4'-P-C4' energy: -93.957 flat angles P-C4'-P energy: -59.620 tors. eta vs tors. theta energy: -99.743 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: 5 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -900.211640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.211640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.211640 (E_RNA) where: Base-Base interactions energy: -558.268 where: short stacking energy: -250.256 Base-Backbone interact. energy: 0.404 local terms energy: -342.347186 where: bonds (distance) C4'-P energy: -73.479 bonds (distance) P-C4' energy: -91.469 flat angles C4'-P-C4' energy: -83.147 flat angles P-C4'-P energy: -51.070 tors. eta vs tors. theta energy: -43.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -810.836337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.836337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.836337 (E_RNA) where: Base-Base interactions energy: -477.671 where: short stacking energy: -224.680 Base-Backbone interact. energy: -0.584 local terms energy: -332.582018 where: bonds (distance) C4'-P energy: -93.797 bonds (distance) P-C4' energy: -89.260 flat angles C4'-P-C4' energy: -69.891 flat angles P-C4'-P energy: -40.390 tors. eta vs tors. theta energy: -39.244 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: 1 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -733.474193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.474193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.474193 (E_RNA) where: Base-Base interactions energy: -416.900 where: short stacking energy: -203.373 Base-Backbone interact. energy: 0.755 local terms energy: -317.329661 where: bonds (distance) C4'-P energy: -87.508 bonds (distance) P-C4' energy: -84.031 flat angles C4'-P-C4' energy: -71.601 flat angles P-C4'-P energy: -44.354 tors. eta vs tors. theta energy: -29.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -602.319950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.319950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.319950 (E_RNA) where: Base-Base interactions energy: -327.703 where: short stacking energy: -164.515 Base-Backbone interact. energy: -0.861 local terms energy: -273.756170 where: bonds (distance) C4'-P energy: -72.212 bonds (distance) P-C4' energy: -91.576 flat angles C4'-P-C4' energy: -54.779 flat angles P-C4'-P energy: -46.523 tors. eta vs tors. theta energy: -8.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1732.072477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.072477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.072477 (E_RNA) where: Base-Base interactions energy: -1208.714 where: short stacking energy: -530.717 Base-Backbone interact. energy: 1.854 local terms energy: -525.211702 where: bonds (distance) C4'-P energy: -91.702 bonds (distance) P-C4' energy: -97.708 flat angles C4'-P-C4' energy: -111.841 flat angles P-C4'-P energy: -71.294 tors. eta vs tors. theta energy: -152.666 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: 8 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1691.094321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.094321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.094321 (E_RNA) where: Base-Base interactions energy: -1164.351 where: short stacking energy: -494.544 Base-Backbone interact. energy: -0.607 local terms energy: -526.136773 where: bonds (distance) C4'-P energy: -82.067 bonds (distance) P-C4' energy: -108.371 flat angles C4'-P-C4' energy: -112.080 flat angles P-C4'-P energy: -79.184 tors. eta vs tors. theta energy: -144.434 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: 3, replica: 10 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1562.006386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.006386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.006386 (E_RNA) where: Base-Base interactions energy: -1103.812 where: short stacking energy: -441.176 Base-Backbone interact. energy: -2.120 local terms energy: -456.073774 where: bonds (distance) C4'-P energy: -83.650 bonds (distance) P-C4' energy: -97.795 flat angles C4'-P-C4' energy: -94.077 flat angles P-C4'-P energy: -62.527 tors. eta vs tors. theta energy: -118.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1503.525364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.525364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.525364 (E_RNA) where: Base-Base interactions energy: -1008.476 where: short stacking energy: -450.433 Base-Backbone interact. energy: -2.510 local terms energy: -492.540096 where: bonds (distance) C4'-P energy: -90.641 bonds (distance) P-C4' energy: -89.295 flat angles C4'-P-C4' energy: -107.252 flat angles P-C4'-P energy: -72.671 tors. eta vs tors. theta energy: -132.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1465.315009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.315009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.315009 (E_RNA) where: Base-Base interactions energy: -1028.263 where: short stacking energy: -434.506 Base-Backbone interact. energy: 5.942 local terms energy: -442.994153 where: bonds (distance) C4'-P energy: -90.485 bonds (distance) P-C4' energy: -77.282 flat angles C4'-P-C4' energy: -92.352 flat angles P-C4'-P energy: -61.183 tors. eta vs tors. theta energy: -121.693 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: 3 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1205.829791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.829791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.829791 (E_RNA) where: Base-Base interactions energy: -804.122 where: short stacking energy: -361.366 Base-Backbone interact. energy: 2.121 local terms energy: -403.828916 where: bonds (distance) C4'-P energy: -77.051 bonds (distance) P-C4' energy: -87.499 flat angles C4'-P-C4' energy: -92.703 flat angles P-C4'-P energy: -53.042 tors. eta vs tors. theta energy: -93.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -915.234415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.234415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.234415 (E_RNA) where: Base-Base interactions energy: -571.672 where: short stacking energy: -278.432 Base-Backbone interact. energy: 0.451 local terms energy: -344.013691 where: bonds (distance) C4'-P energy: -77.121 bonds (distance) P-C4' energy: -84.856 flat angles C4'-P-C4' energy: -81.454 flat angles P-C4'-P energy: -55.134 tors. eta vs tors. theta energy: -45.449 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: 7 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -806.402859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.402859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.402859 (E_RNA) where: Base-Base interactions energy: -470.588 where: short stacking energy: -231.618 Base-Backbone interact. energy: -1.651 local terms energy: -334.164284 where: bonds (distance) C4'-P energy: -85.431 bonds (distance) P-C4' energy: -101.790 flat angles C4'-P-C4' energy: -73.938 flat angles P-C4'-P energy: -32.529 tors. eta vs tors. theta energy: -40.476 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: 163 Temperature: 1.300000 Total energy: -707.733028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.733028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.733028 (E_RNA) where: Base-Base interactions energy: -417.691 where: short stacking energy: -214.131 Base-Backbone interact. energy: 0.836 local terms energy: -290.878052 where: bonds (distance) C4'-P energy: -65.389 bonds (distance) P-C4' energy: -85.311 flat angles C4'-P-C4' energy: -64.850 flat angles P-C4'-P energy: -44.154 tors. eta vs tors. theta energy: -31.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -636.668414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.668414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.668414 (E_RNA) where: Base-Base interactions energy: -341.266 where: short stacking energy: -150.868 Base-Backbone interact. energy: 2.156 local terms energy: -297.558443 where: bonds (distance) C4'-P energy: -69.268 bonds (distance) P-C4' energy: -69.051 flat angles C4'-P-C4' energy: -93.788 flat angles P-C4'-P energy: -47.126 tors. eta vs tors. theta energy: -18.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1730.878369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.878369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.878369 (E_RNA) where: Base-Base interactions energy: -1203.241 where: short stacking energy: -494.135 Base-Backbone interact. energy: 2.547 local terms energy: -530.184629 where: bonds (distance) C4'-P energy: -100.752 bonds (distance) P-C4' energy: -97.752 flat angles C4'-P-C4' energy: -109.754 flat angles P-C4'-P energy: -80.684 tors. eta vs tors. theta energy: -141.243 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: 6 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1686.316012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.316012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.316012 (E_RNA) where: Base-Base interactions energy: -1141.136 where: short stacking energy: -522.770 Base-Backbone interact. energy: 0.726 local terms energy: -545.905393 where: bonds (distance) C4'-P energy: -99.012 bonds (distance) P-C4' energy: -96.861 flat angles C4'-P-C4' energy: -111.533 flat angles P-C4'-P energy: -77.242 tors. eta vs tors. theta energy: -161.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1557.038784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.038784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.038784 (E_RNA) where: Base-Base interactions energy: -1078.898 where: short stacking energy: -439.978 Base-Backbone interact. energy: -0.849 local terms energy: -477.292326 where: bonds (distance) C4'-P energy: -81.608 bonds (distance) P-C4' energy: -89.033 flat angles C4'-P-C4' energy: -98.154 flat angles P-C4'-P energy: -77.623 tors. eta vs tors. theta energy: -130.875 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: 2 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1494.535438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.535438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.535438 (E_RNA) where: Base-Base interactions energy: -1041.191 where: short stacking energy: -457.581 Base-Backbone interact. energy: -0.492 local terms energy: -452.852912 where: bonds (distance) C4'-P energy: -83.298 bonds (distance) P-C4' energy: -80.169 flat angles C4'-P-C4' energy: -97.106 flat angles P-C4'-P energy: -68.414 tors. eta vs tors. theta energy: -123.866 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: 5, replica: 4 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1431.217513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.217513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.217513 (E_RNA) where: Base-Base interactions energy: -996.237 where: short stacking energy: -435.177 Base-Backbone interact. energy: -1.988 local terms energy: -432.992635 where: bonds (distance) C4'-P energy: -78.155 bonds (distance) P-C4' energy: -76.876 flat angles C4'-P-C4' energy: -90.166 flat angles P-C4'-P energy: -69.045 tors. eta vs tors. theta energy: -118.750 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: 6, replica: 3 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1268.222458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.222458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.222458 (E_RNA) where: Base-Base interactions energy: -843.897 where: short stacking energy: -376.842 Base-Backbone interact. energy: 1.293 local terms energy: -425.618965 where: bonds (distance) C4'-P energy: -76.399 bonds (distance) P-C4' energy: -96.802 flat angles C4'-P-C4' energy: -92.576 flat angles P-C4'-P energy: -46.387 tors. eta vs tors. theta energy: -113.454 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: 5 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -904.278053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.278053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.278053 (E_RNA) where: Base-Base interactions energy: -538.984 where: short stacking energy: -253.576 Base-Backbone interact. energy: -0.297 local terms energy: -364.997578 where: bonds (distance) C4'-P energy: -88.958 bonds (distance) P-C4' energy: -86.171 flat angles C4'-P-C4' energy: -91.197 flat angles P-C4'-P energy: -57.579 tors. eta vs tors. theta energy: -41.093 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: 8, replica: 7 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -886.216299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.216299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.216299 (E_RNA) where: Base-Base interactions energy: -557.725 where: short stacking energy: -241.742 Base-Backbone interact. energy: -0.458 local terms energy: -328.033867 where: bonds (distance) C4'-P energy: -76.340 bonds (distance) P-C4' energy: -73.816 flat angles C4'-P-C4' energy: -88.718 flat angles P-C4'-P energy: -47.587 tors. eta vs tors. theta energy: -41.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -715.593105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.593105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.593105 (E_RNA) where: Base-Base interactions energy: -428.845 where: short stacking energy: -204.679 Base-Backbone interact. energy: 1.069 local terms energy: -287.816885 where: bonds (distance) C4'-P energy: -60.403 bonds (distance) P-C4' energy: -75.712 flat angles C4'-P-C4' energy: -68.865 flat angles P-C4'-P energy: -48.238 tors. eta vs tors. theta energy: -34.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -593.423237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.423237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.423237 (E_RNA) where: Base-Base interactions energy: -307.755 where: short stacking energy: -148.724 Base-Backbone interact. energy: 1.960 local terms energy: -287.628338 where: bonds (distance) C4'-P energy: -85.529 bonds (distance) P-C4' energy: -82.977 flat angles C4'-P-C4' energy: -78.155 flat angles P-C4'-P energy: -42.706 tors. eta vs tors. theta energy: 1.738 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: 8 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1716.190686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.190686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.190686 (E_RNA) where: Base-Base interactions energy: -1181.001 where: short stacking energy: -500.184 Base-Backbone interact. energy: -1.281 local terms energy: -533.908648 where: bonds (distance) C4'-P energy: -100.387 bonds (distance) P-C4' energy: -103.592 flat angles C4'-P-C4' energy: -108.070 flat angles P-C4'-P energy: -78.145 tors. eta vs tors. theta energy: -143.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1695.574668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.574668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.574668 (E_RNA) where: Base-Base interactions energy: -1143.944 where: short stacking energy: -518.163 Base-Backbone interact. energy: 1.493 local terms energy: -553.123842 where: bonds (distance) C4'-P energy: -100.892 bonds (distance) P-C4' energy: -97.520 flat angles C4'-P-C4' energy: -112.533 flat angles P-C4'-P energy: -79.672 tors. eta vs tors. theta energy: -162.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1568.202663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.202663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.202663 (E_RNA) where: Base-Base interactions energy: -1066.411 where: short stacking energy: -446.790 Base-Backbone interact. energy: -3.034 local terms energy: -498.757866 where: bonds (distance) C4'-P energy: -91.846 bonds (distance) P-C4' energy: -91.247 flat angles C4'-P-C4' energy: -108.553 flat angles P-C4'-P energy: -68.752 tors. eta vs tors. theta energy: -138.360 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: 2 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1503.896099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.896099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.896099 (E_RNA) where: Base-Base interactions energy: -1040.952 where: short stacking energy: -446.285 Base-Backbone interact. energy: -1.171 local terms energy: -461.773370 where: bonds (distance) C4'-P energy: -81.450 bonds (distance) P-C4' energy: -96.346 flat angles C4'-P-C4' energy: -96.545 flat angles P-C4'-P energy: -63.927 tors. eta vs tors. theta energy: -123.506 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: 4 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1469.417868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.417868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.417868 (E_RNA) where: Base-Base interactions energy: -1021.123 where: short stacking energy: -441.235 Base-Backbone interact. energy: 2.166 local terms energy: -450.460129 where: bonds (distance) C4'-P energy: -92.631 bonds (distance) P-C4' energy: -85.319 flat angles C4'-P-C4' energy: -94.736 flat angles P-C4'-P energy: -58.279 tors. eta vs tors. theta energy: -119.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1270.424933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.424933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.424933 (E_RNA) where: Base-Base interactions energy: -849.884 where: short stacking energy: -366.547 Base-Backbone interact. energy: -2.301 local terms energy: -418.240002 where: bonds (distance) C4'-P energy: -72.166 bonds (distance) P-C4' energy: -86.726 flat angles C4'-P-C4' energy: -93.597 flat angles P-C4'-P energy: -61.413 tors. eta vs tors. theta energy: -104.338 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: 5 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -968.018595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.018595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.018595 (E_RNA) where: Base-Base interactions energy: -619.181 where: short stacking energy: -278.456 Base-Backbone interact. energy: -1.812 local terms energy: -347.025510 where: bonds (distance) C4'-P energy: -74.202 bonds (distance) P-C4' energy: -91.704 flat angles C4'-P-C4' energy: -78.343 flat angles P-C4'-P energy: -49.441 tors. eta vs tors. theta energy: -53.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -862.889701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.889701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.889701 (E_RNA) where: Base-Base interactions energy: -504.398 where: short stacking energy: -258.490 Base-Backbone interact. energy: -0.739 local terms energy: -357.751962 where: bonds (distance) C4'-P energy: -88.833 bonds (distance) P-C4' energy: -80.170 flat angles C4'-P-C4' energy: -68.602 flat angles P-C4'-P energy: -64.937 tors. eta vs tors. theta energy: -55.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -712.236159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.236159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.236159 (E_RNA) where: Base-Base interactions energy: -392.495 where: short stacking energy: -200.940 Base-Backbone interact. energy: -0.831 local terms energy: -318.909571 where: bonds (distance) C4'-P energy: -65.355 bonds (distance) P-C4' energy: -103.008 flat angles C4'-P-C4' energy: -83.195 flat angles P-C4'-P energy: -56.906 tors. eta vs tors. theta energy: -10.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -581.540268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.540268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.540268 (E_RNA) where: Base-Base interactions energy: -280.067 where: short stacking energy: -142.527 Base-Backbone interact. energy: 3.389 local terms energy: -304.862394 where: bonds (distance) C4'-P energy: -87.763 bonds (distance) P-C4' energy: -90.161 flat angles C4'-P-C4' energy: -72.004 flat angles P-C4'-P energy: -49.845 tors. eta vs tors. theta energy: -5.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1715.840327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.840327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.840327 (E_RNA) where: Base-Base interactions energy: -1199.074 where: short stacking energy: -513.123 Base-Backbone interact. energy: -1.589 local terms energy: -515.176748 where: bonds (distance) C4'-P energy: -89.939 bonds (distance) P-C4' energy: -94.460 flat angles C4'-P-C4' energy: -116.591 flat angles P-C4'-P energy: -75.141 tors. eta vs tors. theta energy: -139.046 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: 6 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1693.556428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.556428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.556428 (E_RNA) where: Base-Base interactions energy: -1157.409 where: short stacking energy: -526.567 Base-Backbone interact. energy: -1.780 local terms energy: -534.367880 where: bonds (distance) C4'-P energy: -95.658 bonds (distance) P-C4' energy: -97.651 flat angles C4'-P-C4' energy: -108.942 flat angles P-C4'-P energy: -70.799 tors. eta vs tors. theta energy: -161.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1570.454630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.454630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.454630 (E_RNA) where: Base-Base interactions energy: -1090.375 where: short stacking energy: -457.792 Base-Backbone interact. energy: -0.549 local terms energy: -479.530797 where: bonds (distance) C4'-P energy: -97.294 bonds (distance) P-C4' energy: -96.382 flat angles C4'-P-C4' energy: -90.482 flat angles P-C4'-P energy: -69.776 tors. eta vs tors. theta energy: -125.598 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: 2 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1554.202937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.202937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.202937 (E_RNA) where: Base-Base interactions energy: -1070.331 where: short stacking energy: -464.041 Base-Backbone interact. energy: -0.698 local terms energy: -483.173735 where: bonds (distance) C4'-P energy: -78.429 bonds (distance) P-C4' energy: -91.412 flat angles C4'-P-C4' energy: -101.399 flat angles P-C4'-P energy: -68.974 tors. eta vs tors. theta energy: -142.960 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: 4 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1459.360976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.360976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.360976 (E_RNA) where: Base-Base interactions energy: -1011.808 where: short stacking energy: -437.935 Base-Backbone interact. energy: -0.153 local terms energy: -447.399901 where: bonds (distance) C4'-P energy: -67.291 bonds (distance) P-C4' energy: -98.849 flat angles C4'-P-C4' energy: -86.421 flat angles P-C4'-P energy: -75.262 tors. eta vs tors. theta energy: -119.576 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: 6, replica: 3 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1289.869585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.869585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.869585 (E_RNA) where: Base-Base interactions energy: -849.079 where: short stacking energy: -390.746 Base-Backbone interact. energy: 0.013 local terms energy: -440.803662 where: bonds (distance) C4'-P energy: -89.073 bonds (distance) P-C4' energy: -84.022 flat angles C4'-P-C4' energy: -92.080 flat angles P-C4'-P energy: -60.989 tors. eta vs tors. theta energy: -114.640 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: 5 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -994.452673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.452673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.452673 (E_RNA) where: Base-Base interactions energy: -652.341 where: short stacking energy: -299.739 Base-Backbone interact. energy: -0.968 local terms energy: -341.143218 where: bonds (distance) C4'-P energy: -64.587 bonds (distance) P-C4' energy: -91.870 flat angles C4'-P-C4' energy: -77.816 flat angles P-C4'-P energy: -47.401 tors. eta vs tors. theta energy: -59.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -830.414759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.414759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.414759 (E_RNA) where: Base-Base interactions energy: -499.516 where: short stacking energy: -229.345 Base-Backbone interact. energy: 0.046 local terms energy: -330.944332 where: bonds (distance) C4'-P energy: -77.420 bonds (distance) P-C4' energy: -82.051 flat angles C4'-P-C4' energy: -88.925 flat angles P-C4'-P energy: -36.759 tors. eta vs tors. theta energy: -45.790 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: 1 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -705.239294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.239294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.239294 (E_RNA) where: Base-Base interactions energy: -397.926 where: short stacking energy: -204.202 Base-Backbone interact. energy: 0.422 local terms energy: -307.735725 where: bonds (distance) C4'-P energy: -82.936 bonds (distance) P-C4' energy: -86.065 flat angles C4'-P-C4' energy: -71.550 flat angles P-C4'-P energy: -54.217 tors. eta vs tors. theta energy: -12.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -540.028489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.028489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.028489 (E_RNA) where: Base-Base interactions energy: -295.465 where: short stacking energy: -161.701 Base-Backbone interact. energy: 6.203 local terms energy: -250.767050 where: bonds (distance) C4'-P energy: -65.753 bonds (distance) P-C4' energy: -71.186 flat angles C4'-P-C4' energy: -71.626 flat angles P-C4'-P energy: -36.176 tors. eta vs tors. theta energy: -6.026 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: 167 Temperature: 0.900000 Total energy: -1697.297889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.297889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.297889 (E_RNA) where: Base-Base interactions energy: -1172.358 where: short stacking energy: -496.612 Base-Backbone interact. energy: -2.016 local terms energy: -522.924077 where: bonds (distance) C4'-P energy: -87.534 bonds (distance) P-C4' energy: -97.538 flat angles C4'-P-C4' energy: -110.555 flat angles P-C4'-P energy: -81.330 tors. eta vs tors. theta energy: -145.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1701.007580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.007580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.007580 (E_RNA) where: Base-Base interactions energy: -1154.259 where: short stacking energy: -510.671 Base-Backbone interact. energy: -1.322 local terms energy: -545.426295 where: bonds (distance) C4'-P energy: -101.497 bonds (distance) P-C4' energy: -97.720 flat angles C4'-P-C4' energy: -112.836 flat angles P-C4'-P energy: -73.537 tors. eta vs tors. theta energy: -159.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1572.750480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.750480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.750480 (E_RNA) where: Base-Base interactions energy: -1089.601 where: short stacking energy: -448.975 Base-Backbone interact. energy: -2.544 local terms energy: -480.605531 where: bonds (distance) C4'-P energy: -97.430 bonds (distance) P-C4' energy: -85.002 flat angles C4'-P-C4' energy: -112.705 flat angles P-C4'-P energy: -64.155 tors. eta vs tors. theta energy: -121.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1570.789018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.789018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.789018 (E_RNA) where: Base-Base interactions energy: -1100.492 where: short stacking energy: -484.022 Base-Backbone interact. energy: -1.353 local terms energy: -468.943915 where: bonds (distance) C4'-P energy: -81.893 bonds (distance) P-C4' energy: -88.179 flat angles C4'-P-C4' energy: -100.698 flat angles P-C4'-P energy: -59.920 tors. eta vs tors. theta energy: -138.253 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: 4 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1474.076059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.076059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.076059 (E_RNA) where: Base-Base interactions energy: -1025.586 where: short stacking energy: -443.888 Base-Backbone interact. energy: 2.328 local terms energy: -450.817600 where: bonds (distance) C4'-P energy: -85.531 bonds (distance) P-C4' energy: -90.577 flat angles C4'-P-C4' energy: -85.681 flat angles P-C4'-P energy: -69.541 tors. eta vs tors. theta energy: -119.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1283.844395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.844395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.844395 (E_RNA) where: Base-Base interactions energy: -866.621 where: short stacking energy: -375.207 Base-Backbone interact. energy: 0.157 local terms energy: -417.379665 where: bonds (distance) C4'-P energy: -74.018 bonds (distance) P-C4' energy: -96.733 flat angles C4'-P-C4' energy: -82.718 flat angles P-C4'-P energy: -55.649 tors. eta vs tors. theta energy: -108.262 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: 5 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1041.955351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.955351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.955351 (E_RNA) where: Base-Base interactions energy: -685.265 where: short stacking energy: -310.086 Base-Backbone interact. energy: 0.374 local terms energy: -357.065001 where: bonds (distance) C4'-P energy: -72.592 bonds (distance) P-C4' energy: -72.744 flat angles C4'-P-C4' energy: -98.762 flat angles P-C4'-P energy: -52.586 tors. eta vs tors. theta energy: -60.381 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: 8, replica: 7 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -895.977153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.977153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.977153 (E_RNA) where: Base-Base interactions energy: -550.296 where: short stacking energy: -263.688 Base-Backbone interact. energy: 3.473 local terms energy: -349.153617 where: bonds (distance) C4'-P energy: -81.897 bonds (distance) P-C4' energy: -94.665 flat angles C4'-P-C4' energy: -73.057 flat angles P-C4'-P energy: -50.182 tors. eta vs tors. theta energy: -49.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -725.159212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.159212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.159212 (E_RNA) where: Base-Base interactions energy: -414.521 where: short stacking energy: -215.504 Base-Backbone interact. energy: -1.269 local terms energy: -309.369564 where: bonds (distance) C4'-P energy: -75.555 bonds (distance) P-C4' energy: -85.249 flat angles C4'-P-C4' energy: -74.273 flat angles P-C4'-P energy: -50.621 tors. eta vs tors. theta energy: -23.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -535.735538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.735538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.735538 (E_RNA) where: Base-Base interactions energy: -248.461 where: short stacking energy: -172.677 Base-Backbone interact. energy: 1.432 local terms energy: -288.707346 where: bonds (distance) C4'-P energy: -83.635 bonds (distance) P-C4' energy: -83.492 flat angles C4'-P-C4' energy: -70.828 flat angles P-C4'-P energy: -50.003 tors. eta vs tors. theta energy: -0.749 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: 168 Temperature: 0.900000 Total energy: -1706.812352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.812352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.812352 (E_RNA) where: Base-Base interactions energy: -1192.218 where: short stacking energy: -519.942 Base-Backbone interact. energy: -0.582 local terms energy: -514.013283 where: bonds (distance) C4'-P energy: -93.763 bonds (distance) P-C4' energy: -89.223 flat angles C4'-P-C4' energy: -106.765 flat angles P-C4'-P energy: -76.725 tors. eta vs tors. theta energy: -147.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1672.903542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.903542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.903542 (E_RNA) where: Base-Base interactions energy: -1164.679 where: short stacking energy: -509.558 Base-Backbone interact. energy: -0.342 local terms energy: -507.882380 where: bonds (distance) C4'-P energy: -88.640 bonds (distance) P-C4' energy: -94.960 flat angles C4'-P-C4' energy: -109.008 flat angles P-C4'-P energy: -62.256 tors. eta vs tors. theta energy: -153.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1568.422067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.422067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.422067 (E_RNA) where: Base-Base interactions energy: -1072.952 where: short stacking energy: -443.355 Base-Backbone interact. energy: -1.085 local terms energy: -494.385148 where: bonds (distance) C4'-P energy: -86.438 bonds (distance) P-C4' energy: -105.883 flat angles C4'-P-C4' energy: -102.895 flat angles P-C4'-P energy: -77.248 tors. eta vs tors. theta energy: -121.921 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: 2 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1522.162699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.162699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.162699 (E_RNA) where: Base-Base interactions energy: -1027.745 where: short stacking energy: -450.405 Base-Backbone interact. energy: 0.010 local terms energy: -494.427315 where: bonds (distance) C4'-P energy: -82.814 bonds (distance) P-C4' energy: -86.012 flat angles C4'-P-C4' energy: -106.227 flat angles P-C4'-P energy: -86.116 tors. eta vs tors. theta energy: -133.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1456.488379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.488379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.488379 (E_RNA) where: Base-Base interactions energy: -1010.053 where: short stacking energy: -458.965 Base-Backbone interact. energy: -3.653 local terms energy: -442.782920 where: bonds (distance) C4'-P energy: -84.156 bonds (distance) P-C4' energy: -79.280 flat angles C4'-P-C4' energy: -102.249 flat angles P-C4'-P energy: -54.924 tors. eta vs tors. theta energy: -122.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1338.999606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.999606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.999606 (E_RNA) where: Base-Base interactions energy: -885.728 where: short stacking energy: -405.345 Base-Backbone interact. energy: -2.241 local terms energy: -451.030497 where: bonds (distance) C4'-P energy: -80.873 bonds (distance) P-C4' energy: -85.502 flat angles C4'-P-C4' energy: -89.265 flat angles P-C4'-P energy: -74.571 tors. eta vs tors. theta energy: -120.820 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: 5 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1068.085762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.085762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.085762 (E_RNA) where: Base-Base interactions energy: -721.856 where: short stacking energy: -333.910 Base-Backbone interact. energy: 1.013 local terms energy: -347.243001 where: bonds (distance) C4'-P energy: -62.565 bonds (distance) P-C4' energy: -88.299 flat angles C4'-P-C4' energy: -78.011 flat angles P-C4'-P energy: -47.532 tors. eta vs tors. theta energy: -70.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -975.920137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.920137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.920137 (E_RNA) where: Base-Base interactions energy: -652.339 where: short stacking energy: -275.762 Base-Backbone interact. energy: -2.527 local terms energy: -321.054648 where: bonds (distance) C4'-P energy: -82.563 bonds (distance) P-C4' energy: -77.424 flat angles C4'-P-C4' energy: -76.291 flat angles P-C4'-P energy: -31.726 tors. eta vs tors. theta energy: -53.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -716.192564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.192564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.192564 (E_RNA) where: Base-Base interactions energy: -416.359 where: short stacking energy: -204.892 Base-Backbone interact. energy: -0.942 local terms energy: -298.891413 where: bonds (distance) C4'-P energy: -78.313 bonds (distance) P-C4' energy: -87.522 flat angles C4'-P-C4' energy: -70.149 flat angles P-C4'-P energy: -40.242 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: 10, replica: 9 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -563.315643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.315643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.315643 (E_RNA) where: Base-Base interactions energy: -286.780 where: short stacking energy: -169.786 Base-Backbone interact. energy: -1.211 local terms energy: -275.324522 where: bonds (distance) C4'-P energy: -83.175 bonds (distance) P-C4' energy: -70.552 flat angles C4'-P-C4' energy: -70.070 flat angles P-C4'-P energy: -45.071 tors. eta vs tors. theta energy: -6.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1709.852971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.852971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.852971 (E_RNA) where: Base-Base interactions energy: -1185.107 where: short stacking energy: -500.373 Base-Backbone interact. energy: -3.256 local terms energy: -521.489118 where: bonds (distance) C4'-P energy: -94.658 bonds (distance) P-C4' energy: -89.104 flat angles C4'-P-C4' energy: -112.083 flat angles P-C4'-P energy: -75.004 tors. eta vs tors. theta energy: -150.639 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: 2, replica: 6 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1693.653894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.653894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.653894 (E_RNA) where: Base-Base interactions energy: -1159.038 where: short stacking energy: -522.597 Base-Backbone interact. energy: 1.293 local terms energy: -535.908972 where: bonds (distance) C4'-P energy: -92.430 bonds (distance) P-C4' energy: -93.122 flat angles C4'-P-C4' energy: -105.825 flat angles P-C4'-P energy: -81.701 tors. eta vs tors. theta energy: -162.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1561.964605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.964605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.964605 (E_RNA) where: Base-Base interactions energy: -1101.749 where: short stacking energy: -443.370 Base-Backbone interact. energy: -1.599 local terms energy: -458.616795 where: bonds (distance) C4'-P energy: -82.583 bonds (distance) P-C4' energy: -85.604 flat angles C4'-P-C4' energy: -97.596 flat angles P-C4'-P energy: -70.889 tors. eta vs tors. theta energy: -121.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1519.937640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.937640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.937640 (E_RNA) where: Base-Base interactions energy: -1022.696 where: short stacking energy: -449.232 Base-Backbone interact. energy: -0.055 local terms energy: -497.187221 where: bonds (distance) C4'-P energy: -95.657 bonds (distance) P-C4' energy: -96.054 flat angles C4'-P-C4' energy: -102.921 flat angles P-C4'-P energy: -66.869 tors. eta vs tors. theta energy: -135.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1439.215467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.215467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.215467 (E_RNA) where: Base-Base interactions energy: -1002.998 where: short stacking energy: -447.895 Base-Backbone interact. energy: -1.191 local terms energy: -435.025996 where: bonds (distance) C4'-P energy: -65.553 bonds (distance) P-C4' energy: -88.899 flat angles C4'-P-C4' energy: -93.429 flat angles P-C4'-P energy: -67.183 tors. eta vs tors. theta energy: -119.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1294.083558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.083558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.083558 (E_RNA) where: Base-Base interactions energy: -835.948 where: short stacking energy: -381.612 Base-Backbone interact. energy: -0.601 local terms energy: -457.535207 where: bonds (distance) C4'-P energy: -81.600 bonds (distance) P-C4' energy: -92.496 flat angles C4'-P-C4' energy: -106.391 flat angles P-C4'-P energy: -64.006 tors. eta vs tors. theta energy: -113.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1053.369924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.369924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.369924 (E_RNA) where: Base-Base interactions energy: -682.139 where: short stacking energy: -288.468 Base-Backbone interact. energy: -2.401 local terms energy: -368.829871 where: bonds (distance) C4'-P energy: -84.368 bonds (distance) P-C4' energy: -77.977 flat angles C4'-P-C4' energy: -88.183 flat angles P-C4'-P energy: -53.912 tors. eta vs tors. theta energy: -64.390 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: 8, replica: 7 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -898.253218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.253218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.253218 (E_RNA) where: Base-Base interactions energy: -549.469 where: short stacking energy: -229.168 Base-Backbone interact. energy: 1.503 local terms energy: -350.287017 where: bonds (distance) C4'-P energy: -81.870 bonds (distance) P-C4' energy: -78.970 flat angles C4'-P-C4' energy: -74.655 flat angles P-C4'-P energy: -70.723 tors. eta vs tors. theta energy: -44.069 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: 1 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -774.042992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.042992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.042992 (E_RNA) where: Base-Base interactions energy: -421.083 where: short stacking energy: -206.868 Base-Backbone interact. energy: -1.439 local terms energy: -351.520903 where: bonds (distance) C4'-P energy: -81.387 bonds (distance) P-C4' energy: -83.253 flat angles C4'-P-C4' energy: -84.106 flat angles P-C4'-P energy: -59.158 tors. eta vs tors. theta energy: -43.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -570.471743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.471743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.471743 (E_RNA) where: Base-Base interactions energy: -284.134 where: short stacking energy: -158.942 Base-Backbone interact. energy: 0.768 local terms energy: -287.105719 where: bonds (distance) C4'-P energy: -74.850 bonds (distance) P-C4' energy: -82.910 flat angles C4'-P-C4' energy: -81.269 flat angles P-C4'-P energy: -47.185 tors. eta vs tors. theta energy: -0.892 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: 6 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1726.869057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.869057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.869057 (E_RNA) where: Base-Base interactions energy: -1180.004 where: short stacking energy: -527.726 Base-Backbone interact. energy: 2.244 local terms energy: -549.109063 where: bonds (distance) C4'-P energy: -89.929 bonds (distance) P-C4' energy: -105.994 flat angles C4'-P-C4' energy: -113.638 flat angles P-C4'-P energy: -85.455 tors. eta vs tors. theta energy: -154.094 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: 170 Temperature: 0.950000 Total energy: -1661.484327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.484327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.484327 (E_RNA) where: Base-Base interactions energy: -1154.504 where: short stacking energy: -487.134 Base-Backbone interact. energy: -2.679 local terms energy: -504.300855 where: bonds (distance) C4'-P energy: -88.130 bonds (distance) P-C4' energy: -108.698 flat angles C4'-P-C4' energy: -98.555 flat angles P-C4'-P energy: -67.269 tors. eta vs tors. theta energy: -141.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1543.220377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.220377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.220377 (E_RNA) where: Base-Base interactions energy: -1064.764 where: short stacking energy: -438.210 Base-Backbone interact. energy: -2.040 local terms energy: -476.416558 where: bonds (distance) C4'-P energy: -84.152 bonds (distance) P-C4' energy: -97.720 flat angles C4'-P-C4' energy: -102.403 flat angles P-C4'-P energy: -62.228 tors. eta vs tors. theta energy: -129.913 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: 2 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1575.708983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.708983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.708983 (E_RNA) where: Base-Base interactions energy: -1062.585 where: short stacking energy: -473.652 Base-Backbone interact. energy: -5.106 local terms energy: -508.017931 where: bonds (distance) C4'-P energy: -85.647 bonds (distance) P-C4' energy: -97.455 flat angles C4'-P-C4' energy: -112.180 flat angles P-C4'-P energy: -70.263 tors. eta vs tors. theta energy: -142.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1422.706174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.706174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.706174 (E_RNA) where: Base-Base interactions energy: -952.131 where: short stacking energy: -397.345 Base-Backbone interact. energy: -3.066 local terms energy: -467.509321 where: bonds (distance) C4'-P energy: -93.491 bonds (distance) P-C4' energy: -88.435 flat angles C4'-P-C4' energy: -99.532 flat angles P-C4'-P energy: -65.165 tors. eta vs tors. theta energy: -120.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1236.527209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.527209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.527209 (E_RNA) where: Base-Base interactions energy: -821.753 where: short stacking energy: -368.025 Base-Backbone interact. energy: -2.391 local terms energy: -412.384040 where: bonds (distance) C4'-P energy: -70.741 bonds (distance) P-C4' energy: -92.252 flat angles C4'-P-C4' energy: -89.744 flat angles P-C4'-P energy: -62.022 tors. eta vs tors. theta energy: -97.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1102.824215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.824215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.824215 (E_RNA) where: Base-Base interactions energy: -699.264 where: short stacking energy: -311.495 Base-Backbone interact. energy: -1.253 local terms energy: -402.306726 where: bonds (distance) C4'-P energy: -96.379 bonds (distance) P-C4' energy: -100.045 flat angles C4'-P-C4' energy: -90.140 flat angles P-C4'-P energy: -42.397 tors. eta vs tors. theta energy: -73.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -836.687614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.687614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.687614 (E_RNA) where: Base-Base interactions energy: -497.237 where: short stacking energy: -223.444 Base-Backbone interact. energy: 0.907 local terms energy: -340.357978 where: bonds (distance) C4'-P energy: -70.672 bonds (distance) P-C4' energy: -86.447 flat angles C4'-P-C4' energy: -90.852 flat angles P-C4'-P energy: -44.462 tors. eta vs tors. theta energy: -47.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -724.740461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.740461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.740461 (E_RNA) where: Base-Base interactions energy: -410.970 where: short stacking energy: -211.190 Base-Backbone interact. energy: -0.351 local terms energy: -313.419376 where: bonds (distance) C4'-P energy: -81.015 bonds (distance) P-C4' energy: -84.426 flat angles C4'-P-C4' energy: -80.890 flat angles P-C4'-P energy: -39.633 tors. eta vs tors. theta energy: -27.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -589.795719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.795719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.795719 (E_RNA) where: Base-Base interactions energy: -321.678 where: short stacking energy: -172.387 Base-Backbone interact. energy: -1.477 local terms energy: -266.641179 where: bonds (distance) C4'-P energy: -65.452 bonds (distance) P-C4' energy: -72.554 flat angles C4'-P-C4' energy: -79.256 flat angles P-C4'-P energy: -32.532 tors. eta vs tors. theta energy: -16.848 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: 6 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1724.678737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.678737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.678737 (E_RNA) where: Base-Base interactions energy: -1161.087 where: short stacking energy: -542.588 Base-Backbone interact. energy: -0.510 local terms energy: -563.082328 where: bonds (distance) C4'-P energy: -95.571 bonds (distance) P-C4' energy: -102.794 flat angles C4'-P-C4' energy: -117.154 flat angles P-C4'-P energy: -79.666 tors. eta vs tors. theta energy: -167.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1689.376876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.376876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.376876 (E_RNA) where: Base-Base interactions energy: -1150.495 where: short stacking energy: -503.438 Base-Backbone interact. energy: -4.058 local terms energy: -534.824233 where: bonds (distance) C4'-P energy: -91.327 bonds (distance) P-C4' energy: -94.879 flat angles C4'-P-C4' energy: -118.120 flat angles P-C4'-P energy: -80.577 tors. eta vs tors. theta energy: -149.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1556.026602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.026602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.026602 (E_RNA) where: Base-Base interactions energy: -1066.886 where: short stacking energy: -437.403 Base-Backbone interact. energy: -1.751 local terms energy: -487.389978 where: bonds (distance) C4'-P energy: -81.393 bonds (distance) P-C4' energy: -107.390 flat angles C4'-P-C4' energy: -107.806 flat angles P-C4'-P energy: -73.204 tors. eta vs tors. theta energy: -117.598 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: 2 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1551.896505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.896505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.896505 (E_RNA) where: Base-Base interactions energy: -1084.377 where: short stacking energy: -493.076 Base-Backbone interact. energy: -2.258 local terms energy: -465.261892 where: bonds (distance) C4'-P energy: -73.068 bonds (distance) P-C4' energy: -84.479 flat angles C4'-P-C4' energy: -101.706 flat angles P-C4'-P energy: -60.756 tors. eta vs tors. theta energy: -145.253 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: 4 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1443.330867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.330867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.330867 (E_RNA) where: Base-Base interactions energy: -995.323 where: short stacking energy: -416.683 Base-Backbone interact. energy: 0.468 local terms energy: -448.476112 where: bonds (distance) C4'-P energy: -89.393 bonds (distance) P-C4' energy: -81.165 flat angles C4'-P-C4' energy: -91.574 flat angles P-C4'-P energy: -65.057 tors. eta vs tors. theta energy: -121.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1217.040727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.040727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.040727 (E_RNA) where: Base-Base interactions energy: -793.029 where: short stacking energy: -324.444 Base-Backbone interact. energy: -1.628 local terms energy: -422.383066 where: bonds (distance) C4'-P energy: -83.577 bonds (distance) P-C4' energy: -84.627 flat angles C4'-P-C4' energy: -102.757 flat angles P-C4'-P energy: -63.735 tors. eta vs tors. theta energy: -87.687 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: 7, replica: 5 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1032.388515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.388515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.388515 (E_RNA) where: Base-Base interactions energy: -675.473 where: short stacking energy: -301.503 Base-Backbone interact. energy: -1.006 local terms energy: -355.909233 where: bonds (distance) C4'-P energy: -64.052 bonds (distance) P-C4' energy: -96.311 flat angles C4'-P-C4' energy: -79.601 flat angles P-C4'-P energy: -50.083 tors. eta vs tors. theta energy: -65.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -895.849881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.849881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.849881 (E_RNA) where: Base-Base interactions energy: -599.147 where: short stacking energy: -251.279 Base-Backbone interact. energy: -1.456 local terms energy: -295.247343 where: bonds (distance) C4'-P energy: -73.466 bonds (distance) P-C4' energy: -72.745 flat angles C4'-P-C4' energy: -87.273 flat angles P-C4'-P energy: -25.657 tors. eta vs tors. theta energy: -36.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -712.639127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.639127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.639127 (E_RNA) where: Base-Base interactions energy: -437.376 where: short stacking energy: -209.548 Base-Backbone interact. energy: -1.443 local terms energy: -273.820603 where: bonds (distance) C4'-P energy: -70.955 bonds (distance) P-C4' energy: -75.416 flat angles C4'-P-C4' energy: -74.744 flat angles P-C4'-P energy: -28.162 tors. eta vs tors. theta energy: -24.543 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: 10, replica: 9 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -555.715710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.715710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.715710 (E_RNA) where: Base-Base interactions energy: -285.627 where: short stacking energy: -167.786 Base-Backbone interact. energy: -1.813 local terms energy: -268.276139 where: bonds (distance) C4'-P energy: -71.344 bonds (distance) P-C4' energy: -74.370 flat angles C4'-P-C4' energy: -75.392 flat angles P-C4'-P energy: -38.096 tors. eta vs tors. theta energy: -9.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1734.116823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.116823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.116823 (E_RNA) where: Base-Base interactions energy: -1194.723 where: short stacking energy: -552.764 Base-Backbone interact. energy: 1.483 local terms energy: -540.876912 where: bonds (distance) C4'-P energy: -103.511 bonds (distance) P-C4' energy: -89.099 flat angles C4'-P-C4' energy: -116.913 flat angles P-C4'-P energy: -67.763 tors. eta vs tors. theta energy: -163.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1650.819042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.819042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.819042 (E_RNA) where: Base-Base interactions energy: -1150.392 where: short stacking energy: -490.847 Base-Backbone interact. energy: 3.820 local terms energy: -504.246984 where: bonds (distance) C4'-P energy: -89.463 bonds (distance) P-C4' energy: -104.414 flat angles C4'-P-C4' energy: -103.841 flat angles P-C4'-P energy: -68.900 tors. eta vs tors. theta energy: -137.628 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: 10 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1563.517186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.517186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.517186 (E_RNA) where: Base-Base interactions energy: -1077.989 where: short stacking energy: -439.139 Base-Backbone interact. energy: 1.325 local terms energy: -486.853164 where: bonds (distance) C4'-P energy: -76.215 bonds (distance) P-C4' energy: -101.933 flat angles C4'-P-C4' energy: -102.468 flat angles P-C4'-P energy: -82.390 tors. eta vs tors. theta energy: -123.848 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: 4, replica: 2 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1537.984924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.984924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.984924 (E_RNA) where: Base-Base interactions energy: -1034.985 where: short stacking energy: -464.096 Base-Backbone interact. energy: 1.115 local terms energy: -504.114764 where: bonds (distance) C4'-P energy: -91.185 bonds (distance) P-C4' energy: -92.510 flat angles C4'-P-C4' energy: -110.482 flat angles P-C4'-P energy: -69.694 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: 5, replica: 4 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1458.144389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.144389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.144389 (E_RNA) where: Base-Base interactions energy: -980.482 where: short stacking energy: -411.242 Base-Backbone interact. energy: -1.452 local terms energy: -476.210167 where: bonds (distance) C4'-P energy: -88.498 bonds (distance) P-C4' energy: -89.588 flat angles C4'-P-C4' energy: -99.541 flat angles P-C4'-P energy: -74.709 tors. eta vs tors. theta energy: -123.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1206.283312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.283312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.283312 (E_RNA) where: Base-Base interactions energy: -802.758 where: short stacking energy: -374.548 Base-Backbone interact. energy: -2.301 local terms energy: -401.223979 where: bonds (distance) C4'-P energy: -93.129 bonds (distance) P-C4' energy: -82.310 flat angles C4'-P-C4' energy: -92.571 flat angles P-C4'-P energy: -48.706 tors. eta vs tors. theta energy: -84.508 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: 5 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1109.535496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.535496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.535496 (E_RNA) where: Base-Base interactions energy: -749.968 where: short stacking energy: -339.455 Base-Backbone interact. energy: -1.532 local terms energy: -358.035603 where: bonds (distance) C4'-P energy: -81.094 bonds (distance) P-C4' energy: -79.290 flat angles C4'-P-C4' energy: -67.459 flat angles P-C4'-P energy: -47.066 tors. eta vs tors. theta energy: -83.127 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: 8, replica: 7 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -871.544798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.544798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.544798 (E_RNA) where: Base-Base interactions energy: -527.468 where: short stacking energy: -268.461 Base-Backbone interact. energy: -4.388 local terms energy: -339.688912 where: bonds (distance) C4'-P energy: -72.776 bonds (distance) P-C4' energy: -85.687 flat angles C4'-P-C4' energy: -78.501 flat angles P-C4'-P energy: -49.838 tors. eta vs tors. theta energy: -52.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -757.794457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.794457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.794457 (E_RNA) where: Base-Base interactions energy: -456.609 where: short stacking energy: -242.381 Base-Backbone interact. energy: 0.573 local terms energy: -301.757748 where: bonds (distance) C4'-P energy: -73.095 bonds (distance) P-C4' energy: -72.112 flat angles C4'-P-C4' energy: -75.282 flat angles P-C4'-P energy: -53.463 tors. eta vs tors. theta energy: -27.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -563.239790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.239790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.239790 (E_RNA) where: Base-Base interactions energy: -288.002 where: short stacking energy: -158.428 Base-Backbone interact. energy: 2.097 local terms energy: -277.335321 where: bonds (distance) C4'-P energy: -80.533 bonds (distance) P-C4' energy: -82.990 flat angles C4'-P-C4' energy: -64.470 flat angles P-C4'-P energy: -46.443 tors. eta vs tors. theta energy: -2.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1729.783922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.783922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.783922 (E_RNA) where: Base-Base interactions energy: -1187.999 where: short stacking energy: -556.778 Base-Backbone interact. energy: 0.023 local terms energy: -541.807072 where: bonds (distance) C4'-P energy: -90.540 bonds (distance) P-C4' energy: -99.461 flat angles C4'-P-C4' energy: -106.277 flat angles P-C4'-P energy: -82.191 tors. eta vs tors. theta energy: -163.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1650.627908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.627908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.627908 (E_RNA) where: Base-Base interactions energy: -1137.724 where: short stacking energy: -497.613 Base-Backbone interact. energy: -2.868 local terms energy: -510.036375 where: bonds (distance) C4'-P energy: -81.982 bonds (distance) P-C4' energy: -90.452 flat angles C4'-P-C4' energy: -113.341 flat angles P-C4'-P energy: -74.425 tors. eta vs tors. theta energy: -149.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1557.179520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.179520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.179520 (E_RNA) where: Base-Base interactions energy: -1079.863 where: short stacking energy: -434.073 Base-Backbone interact. energy: -1.626 local terms energy: -475.690614 where: bonds (distance) C4'-P energy: -79.181 bonds (distance) P-C4' energy: -90.065 flat angles C4'-P-C4' energy: -108.920 flat angles P-C4'-P energy: -72.273 tors. eta vs tors. theta energy: -125.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1502.426701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.426701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.426701 (E_RNA) where: Base-Base interactions energy: -1015.287 where: short stacking energy: -415.975 Base-Backbone interact. energy: -1.334 local terms energy: -485.806007 where: bonds (distance) C4'-P energy: -88.004 bonds (distance) P-C4' energy: -84.680 flat angles C4'-P-C4' energy: -107.811 flat angles P-C4'-P energy: -78.207 tors. eta vs tors. theta energy: -127.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1452.108990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.108990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.108990 (E_RNA) where: Base-Base interactions energy: -993.143 where: short stacking energy: -432.839 Base-Backbone interact. energy: 2.055 local terms energy: -461.021481 where: bonds (distance) C4'-P energy: -89.980 bonds (distance) P-C4' energy: -86.425 flat angles C4'-P-C4' energy: -96.300 flat angles P-C4'-P energy: -62.933 tors. eta vs tors. theta energy: -125.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1248.377548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.377548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.377548 (E_RNA) where: Base-Base interactions energy: -828.857 where: short stacking energy: -357.686 Base-Backbone interact. energy: 0.490 local terms energy: -420.009899 where: bonds (distance) C4'-P energy: -85.367 bonds (distance) P-C4' energy: -81.941 flat angles C4'-P-C4' energy: -90.325 flat angles P-C4'-P energy: -63.396 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: 5 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1137.102223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.102223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.102223 (E_RNA) where: Base-Base interactions energy: -768.865 where: short stacking energy: -342.568 Base-Backbone interact. energy: -1.472 local terms energy: -366.764370 where: bonds (distance) C4'-P energy: -77.584 bonds (distance) P-C4' energy: -85.646 flat angles C4'-P-C4' energy: -84.128 flat angles P-C4'-P energy: -48.232 tors. eta vs tors. theta energy: -71.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -873.451565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.451565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.451565 (E_RNA) where: Base-Base interactions energy: -516.634 where: short stacking energy: -271.812 Base-Backbone interact. energy: -0.633 local terms energy: -356.184491 where: bonds (distance) C4'-P energy: -79.165 bonds (distance) P-C4' energy: -88.061 flat angles C4'-P-C4' energy: -81.455 flat angles P-C4'-P energy: -56.325 tors. eta vs tors. theta energy: -51.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -784.397653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.397653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.397653 (E_RNA) where: Base-Base interactions energy: -471.185 where: short stacking energy: -231.689 Base-Backbone interact. energy: -0.535 local terms energy: -312.677208 where: bonds (distance) C4'-P energy: -74.121 bonds (distance) P-C4' energy: -81.945 flat angles C4'-P-C4' energy: -77.196 flat angles P-C4'-P energy: -49.692 tors. eta vs tors. theta energy: -29.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -540.930987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.930987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.930987 (E_RNA) where: Base-Base interactions energy: -298.887 where: short stacking energy: -182.239 Base-Backbone interact. energy: 4.671 local terms energy: -246.714441 where: bonds (distance) C4'-P energy: -76.266 bonds (distance) P-C4' energy: -70.846 flat angles C4'-P-C4' energy: -74.263 flat angles P-C4'-P energy: -28.015 tors. eta vs tors. theta energy: 2.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1730.826521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.826521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.826521 (E_RNA) where: Base-Base interactions energy: -1190.086 where: short stacking energy: -535.055 Base-Backbone interact. energy: 0.298 local terms energy: -541.039094 where: bonds (distance) C4'-P energy: -95.675 bonds (distance) P-C4' energy: -93.159 flat angles C4'-P-C4' energy: -114.490 flat angles P-C4'-P energy: -78.866 tors. eta vs tors. theta energy: -158.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1663.245066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.245066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.245066 (E_RNA) where: Base-Base interactions energy: -1158.392 where: short stacking energy: -512.357 Base-Backbone interact. energy: 1.491 local terms energy: -506.344411 where: bonds (distance) C4'-P energy: -88.577 bonds (distance) P-C4' energy: -91.605 flat angles C4'-P-C4' energy: -113.642 flat angles P-C4'-P energy: -73.334 tors. eta vs tors. theta energy: -139.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1589.811526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.811526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.811526 (E_RNA) where: Base-Base interactions energy: -1092.389 where: short stacking energy: -424.722 Base-Backbone interact. energy: 1.369 local terms energy: -498.791293 where: bonds (distance) C4'-P energy: -95.690 bonds (distance) P-C4' energy: -95.058 flat angles C4'-P-C4' energy: -108.819 flat angles P-C4'-P energy: -77.155 tors. eta vs tors. theta energy: -122.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1496.532649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.532649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.532649 (E_RNA) where: Base-Base interactions energy: -1076.814 where: short stacking energy: -439.850 Base-Backbone interact. energy: 0.489 local terms energy: -420.207765 where: bonds (distance) C4'-P energy: -91.688 bonds (distance) P-C4' energy: -75.036 flat angles C4'-P-C4' energy: -89.943 flat angles P-C4'-P energy: -65.002 tors. eta vs tors. theta energy: -98.538 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: 2 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1530.123212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.123212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.123212 (E_RNA) where: Base-Base interactions energy: -1065.859 where: short stacking energy: -449.525 Base-Backbone interact. energy: -3.016 local terms energy: -461.248312 where: bonds (distance) C4'-P energy: -90.486 bonds (distance) P-C4' energy: -82.257 flat angles C4'-P-C4' energy: -98.058 flat angles P-C4'-P energy: -58.234 tors. eta vs tors. theta energy: -132.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1278.295192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.295192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.295192 (E_RNA) where: Base-Base interactions energy: -853.709 where: short stacking energy: -369.890 Base-Backbone interact. energy: -1.070 local terms energy: -423.516172 where: bonds (distance) C4'-P energy: -72.116 bonds (distance) P-C4' energy: -76.730 flat angles C4'-P-C4' energy: -99.822 flat angles P-C4'-P energy: -63.788 tors. eta vs tors. theta energy: -111.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1096.379818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.379818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.379818 (E_RNA) where: Base-Base interactions energy: -728.293 where: short stacking energy: -314.118 Base-Backbone interact. energy: 1.813 local terms energy: -369.899893 where: bonds (distance) C4'-P energy: -90.515 bonds (distance) P-C4' energy: -87.213 flat angles C4'-P-C4' energy: -79.412 flat angles P-C4'-P energy: -47.898 tors. eta vs tors. theta energy: -64.860 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: 7 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -859.479318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.479318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.479318 (E_RNA) where: Base-Base interactions energy: -525.147 where: short stacking energy: -218.213 Base-Backbone interact. energy: -2.281 local terms energy: -332.050737 where: bonds (distance) C4'-P energy: -92.394 bonds (distance) P-C4' energy: -79.685 flat angles C4'-P-C4' energy: -88.882 flat angles P-C4'-P energy: -47.003 tors. eta vs tors. theta energy: -24.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -665.921881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.921881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.921881 (E_RNA) where: Base-Base interactions energy: -385.614 where: short stacking energy: -225.229 Base-Backbone interact. energy: 2.514 local terms energy: -282.822342 where: bonds (distance) C4'-P energy: -71.997 bonds (distance) P-C4' energy: -77.209 flat angles C4'-P-C4' energy: -78.493 flat angles P-C4'-P energy: -37.304 tors. eta vs tors. theta energy: -17.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -540.907938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.907938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.907938 (E_RNA) where: Base-Base interactions energy: -273.975 where: short stacking energy: -156.824 Base-Backbone interact. energy: 1.029 local terms energy: -267.961324 where: bonds (distance) C4'-P energy: -64.025 bonds (distance) P-C4' energy: -77.732 flat angles C4'-P-C4' energy: -71.816 flat angles P-C4'-P energy: -49.617 tors. eta vs tors. theta energy: -4.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1730.808272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.808272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.808272 (E_RNA) where: Base-Base interactions energy: -1187.362 where: short stacking energy: -536.968 Base-Backbone interact. energy: 4.934 local terms energy: -548.379740 where: bonds (distance) C4'-P energy: -89.638 bonds (distance) P-C4' energy: -109.091 flat angles C4'-P-C4' energy: -117.634 flat angles P-C4'-P energy: -72.518 tors. eta vs tors. theta energy: -159.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1685.896887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.896887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.896887 (E_RNA) where: Base-Base interactions energy: -1157.525 where: short stacking energy: -496.529 Base-Backbone interact. energy: 0.071 local terms energy: -528.442720 where: bonds (distance) C4'-P energy: -96.184 bonds (distance) P-C4' energy: -101.582 flat angles C4'-P-C4' energy: -106.442 flat angles P-C4'-P energy: -80.068 tors. eta vs tors. theta energy: -144.166 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: 10 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1568.274542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.274542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.274542 (E_RNA) where: Base-Base interactions energy: -1106.246 where: short stacking energy: -420.856 Base-Backbone interact. energy: 0.759 local terms energy: -462.787348 where: bonds (distance) C4'-P energy: -87.017 bonds (distance) P-C4' energy: -87.249 flat angles C4'-P-C4' energy: -102.892 flat angles P-C4'-P energy: -69.148 tors. eta vs tors. theta energy: -116.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1564.755385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.755385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.755385 (E_RNA) where: Base-Base interactions energy: -1060.993 where: short stacking energy: -462.138 Base-Backbone interact. energy: -3.106 local terms energy: -500.655990 where: bonds (distance) C4'-P energy: -83.550 bonds (distance) P-C4' energy: -95.290 flat angles C4'-P-C4' energy: -108.948 flat angles P-C4'-P energy: -75.401 tors. eta vs tors. theta energy: -137.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1470.352511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.352511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.352511 (E_RNA) where: Base-Base interactions energy: -1009.727 where: short stacking energy: -435.109 Base-Backbone interact. energy: -3.899 local terms energy: -456.726915 where: bonds (distance) C4'-P energy: -82.793 bonds (distance) P-C4' energy: -90.751 flat angles C4'-P-C4' energy: -102.784 flat angles P-C4'-P energy: -65.738 tors. eta vs tors. theta energy: -114.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1327.265723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.265723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.265723 (E_RNA) where: Base-Base interactions energy: -884.780 where: short stacking energy: -412.136 Base-Backbone interact. energy: -2.185 local terms energy: -440.300340 where: bonds (distance) C4'-P energy: -97.539 bonds (distance) P-C4' energy: -92.660 flat angles C4'-P-C4' energy: -91.561 flat angles P-C4'-P energy: -47.166 tors. eta vs tors. theta energy: -111.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1090.215556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.215556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.215556 (E_RNA) where: Base-Base interactions energy: -720.248 where: short stacking energy: -323.254 Base-Backbone interact. energy: -2.212 local terms energy: -367.755356 where: bonds (distance) C4'-P energy: -74.748 bonds (distance) P-C4' energy: -79.979 flat angles C4'-P-C4' energy: -92.883 flat angles P-C4'-P energy: -63.461 tors. eta vs tors. theta energy: -56.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -842.259900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.259900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.259900 (E_RNA) where: Base-Base interactions energy: -517.236 where: short stacking energy: -218.992 Base-Backbone interact. energy: -2.238 local terms energy: -322.785719 where: bonds (distance) C4'-P energy: -75.433 bonds (distance) P-C4' energy: -90.173 flat angles C4'-P-C4' energy: -84.558 flat angles P-C4'-P energy: -46.924 tors. eta vs tors. theta energy: -25.698 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: 9, replica: 1 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -726.285482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.285482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.285482 (E_RNA) where: Base-Base interactions energy: -420.861 where: short stacking energy: -198.451 Base-Backbone interact. energy: 8.518 local terms energy: -313.942176 where: bonds (distance) C4'-P energy: -82.383 bonds (distance) P-C4' energy: -74.939 flat angles C4'-P-C4' energy: -71.639 flat angles P-C4'-P energy: -61.853 tors. eta vs tors. theta energy: -23.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -550.012715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.012715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.012715 (E_RNA) where: Base-Base interactions energy: -297.554 where: short stacking energy: -160.905 Base-Backbone interact. energy: 0.075 local terms energy: -252.533069 where: bonds (distance) C4'-P energy: -76.405 bonds (distance) P-C4' energy: -81.947 flat angles C4'-P-C4' energy: -63.765 flat angles P-C4'-P energy: -32.152 tors. eta vs tors. theta energy: 1.736 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: 6 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1718.046051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.046051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.046051 (E_RNA) where: Base-Base interactions energy: -1176.556 where: short stacking energy: -547.049 Base-Backbone interact. energy: 6.054 local terms energy: -547.544484 where: bonds (distance) C4'-P energy: -100.844 bonds (distance) P-C4' energy: -101.415 flat angles C4'-P-C4' energy: -111.129 flat angles P-C4'-P energy: -83.122 tors. eta vs tors. theta energy: -151.035 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: 2, replica: 8 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1680.595030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.595030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.595030 (E_RNA) where: Base-Base interactions energy: -1164.647 where: short stacking energy: -486.976 Base-Backbone interact. energy: -3.164 local terms energy: -512.784363 where: bonds (distance) C4'-P energy: -87.100 bonds (distance) P-C4' energy: -97.506 flat angles C4'-P-C4' energy: -113.471 flat angles P-C4'-P energy: -71.314 tors. eta vs tors. theta energy: -143.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1583.297508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.297508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.297508 (E_RNA) where: Base-Base interactions energy: -1101.192 where: short stacking energy: -504.884 Base-Backbone interact. energy: -1.491 local terms energy: -480.615247 where: bonds (distance) C4'-P energy: -83.451 bonds (distance) P-C4' energy: -91.407 flat angles C4'-P-C4' energy: -104.328 flat angles P-C4'-P energy: -50.106 tors. eta vs tors. theta energy: -151.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -1525.138670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.138670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.138670 (E_RNA) where: Base-Base interactions energy: -1057.938 where: short stacking energy: -434.410 Base-Backbone interact. energy: 0.694 local terms energy: -467.895025 where: bonds (distance) C4'-P energy: -86.051 bonds (distance) P-C4' energy: -93.625 flat angles C4'-P-C4' energy: -98.064 flat angles P-C4'-P energy: -69.652 tors. eta vs tors. theta energy: -120.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -1453.076353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.076353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.076353 (E_RNA) where: Base-Base interactions energy: -1000.046 where: short stacking energy: -415.170 Base-Backbone interact. energy: 0.044 local terms energy: -453.073650 where: bonds (distance) C4'-P energy: -78.159 bonds (distance) P-C4' energy: -86.991 flat angles C4'-P-C4' energy: -106.583 flat angles P-C4'-P energy: -68.893 tors. eta vs tors. theta energy: -112.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1304.495005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.495005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.495005 (E_RNA) where: Base-Base interactions energy: -861.337 where: short stacking energy: -387.940 Base-Backbone interact. energy: 1.149 local terms energy: -444.306718 where: bonds (distance) C4'-P energy: -88.131 bonds (distance) P-C4' energy: -85.608 flat angles C4'-P-C4' energy: -91.661 flat angles P-C4'-P energy: -61.259 tors. eta vs tors. theta energy: -117.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1066.780161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.780161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.780161 (E_RNA) where: Base-Base interactions energy: -671.742 where: short stacking energy: -290.619 Base-Backbone interact. energy: -2.435 local terms energy: -392.602923 where: bonds (distance) C4'-P energy: -76.320 bonds (distance) P-C4' energy: -97.378 flat angles C4'-P-C4' energy: -92.461 flat angles P-C4'-P energy: -57.675 tors. eta vs tors. theta energy: -68.768 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: 7 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -862.207201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.207201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.207201 (E_RNA) where: Base-Base interactions energy: -532.890 where: short stacking energy: -263.794 Base-Backbone interact. energy: 0.749 local terms energy: -330.066209 where: bonds (distance) C4'-P energy: -80.547 bonds (distance) P-C4' energy: -70.062 flat angles C4'-P-C4' energy: -86.784 flat angles P-C4'-P energy: -55.427 tors. eta vs tors. theta energy: -37.247 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: 1 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -721.981220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.981220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.981220 (E_RNA) where: Base-Base interactions energy: -409.072 where: short stacking energy: -211.618 Base-Backbone interact. energy: -2.130 local terms energy: -310.778934 where: bonds (distance) C4'-P energy: -80.663 bonds (distance) P-C4' energy: -88.517 flat angles C4'-P-C4' energy: -81.934 flat angles P-C4'-P energy: -46.680 tors. eta vs tors. theta energy: -12.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -599.424233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.424233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.424233 (E_RNA) where: Base-Base interactions energy: -338.713 where: short stacking energy: -163.508 Base-Backbone interact. energy: 6.366 local terms energy: -267.076993 where: bonds (distance) C4'-P energy: -82.131 bonds (distance) P-C4' energy: -64.466 flat angles C4'-P-C4' energy: -67.882 flat angles P-C4'-P energy: -44.224 tors. eta vs tors. theta energy: -8.374 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: 1, replica: 6 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1737.372042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.372042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.372042 (E_RNA) where: Base-Base interactions energy: -1194.893 where: short stacking energy: -547.821 Base-Backbone interact. energy: 0.877 local terms energy: -543.356300 where: bonds (distance) C4'-P energy: -86.165 bonds (distance) P-C4' energy: -105.960 flat angles C4'-P-C4' energy: -112.507 flat angles P-C4'-P energy: -74.561 tors. eta vs tors. theta energy: -164.163 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: 8 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1654.132743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.132743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.132743 (E_RNA) where: Base-Base interactions energy: -1153.946 where: short stacking energy: -478.631 Base-Backbone interact. energy: -0.575 local terms energy: -499.611209 where: bonds (distance) C4'-P energy: -86.277 bonds (distance) P-C4' energy: -89.878 flat angles C4'-P-C4' energy: -111.383 flat angles P-C4'-P energy: -74.816 tors. eta vs tors. theta energy: -137.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1572.332925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.332925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.332925 (E_RNA) where: Base-Base interactions energy: -1086.579 where: short stacking energy: -491.194 Base-Backbone interact. energy: 0.436 local terms energy: -486.190462 where: bonds (distance) C4'-P energy: -93.411 bonds (distance) P-C4' energy: -81.756 flat angles C4'-P-C4' energy: -110.967 flat angles P-C4'-P energy: -61.505 tors. eta vs tors. theta energy: -138.551 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: 4, replica: 10 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1525.018895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.018895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.018895 (E_RNA) where: Base-Base interactions energy: -1056.425 where: short stacking energy: -418.943 Base-Backbone interact. energy: -2.404 local terms energy: -466.190151 where: bonds (distance) C4'-P energy: -101.682 bonds (distance) P-C4' energy: -84.938 flat angles C4'-P-C4' energy: -102.774 flat angles P-C4'-P energy: -61.744 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: 5, replica: 4 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1453.047886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.047886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.047886 (E_RNA) where: Base-Base interactions energy: -1005.754 where: short stacking energy: -443.701 Base-Backbone interact. energy: 1.869 local terms energy: -449.163241 where: bonds (distance) C4'-P energy: -85.209 bonds (distance) P-C4' energy: -86.744 flat angles C4'-P-C4' energy: -101.094 flat angles P-C4'-P energy: -61.629 tors. eta vs tors. theta energy: -114.488 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: 6, replica: 3 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1301.523771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.523771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.523771 (E_RNA) where: Base-Base interactions energy: -884.019 where: short stacking energy: -370.361 Base-Backbone interact. energy: 0.030 local terms energy: -417.534388 where: bonds (distance) C4'-P energy: -81.284 bonds (distance) P-C4' energy: -90.485 flat angles C4'-P-C4' energy: -91.299 flat angles P-C4'-P energy: -51.605 tors. eta vs tors. theta energy: -102.861 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: 5 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1071.619273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.619273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.619273 (E_RNA) where: Base-Base interactions energy: -711.839 where: short stacking energy: -318.265 Base-Backbone interact. energy: -0.733 local terms energy: -359.047693 where: bonds (distance) C4'-P energy: -67.477 bonds (distance) P-C4' energy: -73.857 flat angles C4'-P-C4' energy: -87.595 flat angles P-C4'-P energy: -49.492 tors. eta vs tors. theta energy: -80.626 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: 7 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -863.159404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.159404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.159404 (E_RNA) where: Base-Base interactions energy: -548.400 where: short stacking energy: -266.455 Base-Backbone interact. energy: 3.288 local terms energy: -318.048101 where: bonds (distance) C4'-P energy: -75.802 bonds (distance) P-C4' energy: -73.021 flat angles C4'-P-C4' energy: -79.227 flat angles P-C4'-P energy: -33.823 tors. eta vs tors. theta energy: -56.175 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: 1 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -715.308912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.308912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.308912 (E_RNA) where: Base-Base interactions energy: -412.266 where: short stacking energy: -207.139 Base-Backbone interact. energy: 1.774 local terms energy: -304.817610 where: bonds (distance) C4'-P energy: -81.196 bonds (distance) P-C4' energy: -70.754 flat angles C4'-P-C4' energy: -84.456 flat angles P-C4'-P energy: -40.716 tors. eta vs tors. theta energy: -27.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -666.026597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.026597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.026597 (E_RNA) where: Base-Base interactions energy: -362.951 where: short stacking energy: -174.304 Base-Backbone interact. energy: 1.278 local terms energy: -304.353826 where: bonds (distance) C4'-P energy: -75.937 bonds (distance) P-C4' energy: -86.538 flat angles C4'-P-C4' energy: -89.396 flat angles P-C4'-P energy: -37.847 tors. eta vs tors. theta energy: -14.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1727.644456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.644456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.644456 (E_RNA) where: Base-Base interactions energy: -1178.568 where: short stacking energy: -523.431 Base-Backbone interact. energy: -2.196 local terms energy: -546.880234 where: bonds (distance) C4'-P energy: -97.683 bonds (distance) P-C4' energy: -108.103 flat angles C4'-P-C4' energy: -107.143 flat angles P-C4'-P energy: -76.371 tors. eta vs tors. theta energy: -157.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1688.209331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.209331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.209331 (E_RNA) where: Base-Base interactions energy: -1174.678 where: short stacking energy: -504.255 Base-Backbone interact. energy: -2.246 local terms energy: -511.285050 where: bonds (distance) C4'-P energy: -94.243 bonds (distance) P-C4' energy: -103.370 flat angles C4'-P-C4' energy: -107.668 flat angles P-C4'-P energy: -64.932 tors. eta vs tors. theta energy: -141.072 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: 10 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1533.688979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.688979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.688979 (E_RNA) where: Base-Base interactions energy: -1064.823 where: short stacking energy: -437.451 Base-Backbone interact. energy: -2.613 local terms energy: -466.252655 where: bonds (distance) C4'-P energy: -91.443 bonds (distance) P-C4' energy: -105.207 flat angles C4'-P-C4' energy: -97.898 flat angles P-C4'-P energy: -60.239 tors. eta vs tors. theta energy: -111.465 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: 2 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1546.329831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.329831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.329831 (E_RNA) where: Base-Base interactions energy: -1059.721 where: short stacking energy: -470.783 Base-Backbone interact. energy: -1.751 local terms energy: -484.858352 where: bonds (distance) C4'-P energy: -78.014 bonds (distance) P-C4' energy: -83.664 flat angles C4'-P-C4' energy: -112.651 flat angles P-C4'-P energy: -66.169 tors. eta vs tors. theta energy: -144.360 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: 4 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1452.217806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.217806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.217806 (E_RNA) where: Base-Base interactions energy: -1019.380 where: short stacking energy: -438.156 Base-Backbone interact. energy: 3.803 local terms energy: -436.640976 where: bonds (distance) C4'-P energy: -82.001 bonds (distance) P-C4' energy: -93.125 flat angles C4'-P-C4' energy: -95.532 flat angles P-C4'-P energy: -70.155 tors. eta vs tors. theta energy: -95.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1323.041521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.041521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.041521 (E_RNA) where: Base-Base interactions energy: -888.057 where: short stacking energy: -380.565 Base-Backbone interact. energy: -2.819 local terms energy: -432.164614 where: bonds (distance) C4'-P energy: -84.597 bonds (distance) P-C4' energy: -74.847 flat angles C4'-P-C4' energy: -100.485 flat angles P-C4'-P energy: -59.888 tors. eta vs tors. theta energy: -112.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1094.663830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.663830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.663830 (E_RNA) where: Base-Base interactions energy: -722.022 where: short stacking energy: -321.153 Base-Backbone interact. energy: 1.660 local terms energy: -374.301258 where: bonds (distance) C4'-P energy: -76.484 bonds (distance) P-C4' energy: -73.203 flat angles C4'-P-C4' energy: -99.093 flat angles P-C4'-P energy: -46.615 tors. eta vs tors. theta energy: -78.906 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: 7 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -943.094620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.094620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.094620 (E_RNA) where: Base-Base interactions energy: -604.028 where: short stacking energy: -278.719 Base-Backbone interact. energy: -1.885 local terms energy: -337.181542 where: bonds (distance) C4'-P energy: -70.211 bonds (distance) P-C4' energy: -58.577 flat angles C4'-P-C4' energy: -86.936 flat angles P-C4'-P energy: -67.014 tors. eta vs tors. theta energy: -54.443 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: 1 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -753.136184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.136184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.136184 (E_RNA) where: Base-Base interactions energy: -422.531 where: short stacking energy: -230.149 Base-Backbone interact. energy: 1.476 local terms energy: -332.080702 where: bonds (distance) C4'-P energy: -81.592 bonds (distance) P-C4' energy: -94.944 flat angles C4'-P-C4' energy: -74.445 flat angles P-C4'-P energy: -42.109 tors. eta vs tors. theta energy: -38.990 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: 10, replica: 9 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -601.791941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.791941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.791941 (E_RNA) where: Base-Base interactions energy: -304.135 where: short stacking energy: -157.735 Base-Backbone interact. energy: -2.271 local terms energy: -295.385295 where: bonds (distance) C4'-P energy: -95.543 bonds (distance) P-C4' energy: -78.483 flat angles C4'-P-C4' energy: -62.435 flat angles P-C4'-P energy: -45.890 tors. eta vs tors. theta energy: -13.034 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: 6 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1732.594825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.594825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.594825 (E_RNA) where: Base-Base interactions energy: -1206.010 where: short stacking energy: -539.540 Base-Backbone interact. energy: -1.243 local terms energy: -525.341411 where: bonds (distance) C4'-P energy: -94.306 bonds (distance) P-C4' energy: -88.332 flat angles C4'-P-C4' energy: -114.088 flat angles P-C4'-P energy: -70.216 tors. eta vs tors. theta energy: -158.400 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: 2, replica: 8 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1645.434883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.434883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.434883 (E_RNA) where: Base-Base interactions energy: -1140.119 where: short stacking energy: -472.688 Base-Backbone interact. energy: -1.910 local terms energy: -503.405486 where: bonds (distance) C4'-P energy: -92.907 bonds (distance) P-C4' energy: -81.004 flat angles C4'-P-C4' energy: -106.140 flat angles P-C4'-P energy: -80.148 tors. eta vs tors. theta energy: -143.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1573.447169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.447169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.447169 (E_RNA) where: Base-Base interactions energy: -1092.131 where: short stacking energy: -443.993 Base-Backbone interact. energy: -2.548 local terms energy: -478.768908 where: bonds (distance) C4'-P energy: -82.670 bonds (distance) P-C4' energy: -89.841 flat angles C4'-P-C4' energy: -97.239 flat angles P-C4'-P energy: -78.908 tors. eta vs tors. theta energy: -130.110 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: 4, replica: 2 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1539.998219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.998219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.998219 (E_RNA) where: Base-Base interactions energy: -1048.576 where: short stacking energy: -469.624 Base-Backbone interact. energy: 4.142 local terms energy: -495.565061 where: bonds (distance) C4'-P energy: -89.698 bonds (distance) P-C4' energy: -87.334 flat angles C4'-P-C4' energy: -98.374 flat angles P-C4'-P energy: -78.195 tors. eta vs tors. theta energy: -141.964 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: 4 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1439.675665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.675665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.675665 (E_RNA) where: Base-Base interactions energy: -995.838 where: short stacking energy: -418.479 Base-Backbone interact. energy: -2.270 local terms energy: -441.568207 where: bonds (distance) C4'-P energy: -78.645 bonds (distance) P-C4' energy: -76.636 flat angles C4'-P-C4' energy: -102.693 flat angles P-C4'-P energy: -74.193 tors. eta vs tors. theta energy: -109.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1295.111589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.111589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.111589 (E_RNA) where: Base-Base interactions energy: -888.103 where: short stacking energy: -393.292 Base-Backbone interact. energy: -2.956 local terms energy: -404.051879 where: bonds (distance) C4'-P energy: -66.549 bonds (distance) P-C4' energy: -87.745 flat angles C4'-P-C4' energy: -99.396 flat angles P-C4'-P energy: -40.022 tors. eta vs tors. theta energy: -110.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1125.682945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.682945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.682945 (E_RNA) where: Base-Base interactions energy: -748.847 where: short stacking energy: -309.740 Base-Backbone interact. energy: 0.229 local terms energy: -377.064980 where: bonds (distance) C4'-P energy: -81.383 bonds (distance) P-C4' energy: -88.703 flat angles C4'-P-C4' energy: -89.335 flat angles P-C4'-P energy: -51.453 tors. eta vs tors. theta energy: -66.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -975.454799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.454799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.454799 (E_RNA) where: Base-Base interactions energy: -614.491 where: short stacking energy: -274.933 Base-Backbone interact. energy: 2.903 local terms energy: -363.865983 where: bonds (distance) C4'-P energy: -89.212 bonds (distance) P-C4' energy: -84.461 flat angles C4'-P-C4' energy: -87.877 flat angles P-C4'-P energy: -46.049 tors. eta vs tors. theta energy: -56.267 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: 1 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -791.903529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.903529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.903529 (E_RNA) where: Base-Base interactions energy: -466.872 where: short stacking energy: -222.230 Base-Backbone interact. energy: -1.561 local terms energy: -323.471177 where: bonds (distance) C4'-P energy: -83.612 bonds (distance) P-C4' energy: -86.739 flat angles C4'-P-C4' energy: -81.158 flat angles P-C4'-P energy: -37.777 tors. eta vs tors. theta energy: -34.186 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: 9 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -634.524477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.524477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.524477 (E_RNA) where: Base-Base interactions energy: -342.250 where: short stacking energy: -179.451 Base-Backbone interact. energy: -0.729 local terms energy: -291.545705 where: bonds (distance) C4'-P energy: -69.393 bonds (distance) P-C4' energy: -98.901 flat angles C4'-P-C4' energy: -78.433 flat angles P-C4'-P energy: -39.614 tors. eta vs tors. theta energy: -5.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1711.869053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.869053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.869053 (E_RNA) where: Base-Base interactions energy: -1205.486 where: short stacking energy: -537.225 Base-Backbone interact. energy: -0.938 local terms energy: -505.444491 where: bonds (distance) C4'-P energy: -75.055 bonds (distance) P-C4' energy: -95.190 flat angles C4'-P-C4' energy: -108.618 flat angles P-C4'-P energy: -68.291 tors. eta vs tors. theta energy: -158.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1655.661528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.661528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.661528 (E_RNA) where: Base-Base interactions energy: -1145.418 where: short stacking energy: -486.377 Base-Backbone interact. energy: -2.696 local terms energy: -507.548138 where: bonds (distance) C4'-P energy: -97.572 bonds (distance) P-C4' energy: -86.740 flat angles C4'-P-C4' energy: -110.144 flat angles P-C4'-P energy: -67.898 tors. eta vs tors. theta energy: -145.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1530.701181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.701181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.701181 (E_RNA) where: Base-Base interactions energy: -1046.448 where: short stacking energy: -454.559 Base-Backbone interact. energy: -3.044 local terms energy: -481.209849 where: bonds (distance) C4'-P energy: -91.019 bonds (distance) P-C4' energy: -88.917 flat angles C4'-P-C4' energy: -99.272 flat angles P-C4'-P energy: -69.600 tors. eta vs tors. theta energy: -132.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1523.993395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.993395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.993395 (E_RNA) where: Base-Base interactions energy: -1069.522 where: short stacking energy: -467.354 Base-Backbone interact. energy: -3.482 local terms energy: -450.989206 where: bonds (distance) C4'-P energy: -80.581 bonds (distance) P-C4' energy: -82.934 flat angles C4'-P-C4' energy: -97.284 flat angles P-C4'-P energy: -65.749 tors. eta vs tors. theta energy: -124.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1449.009403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.009403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.009403 (E_RNA) where: Base-Base interactions energy: -1000.892 where: short stacking energy: -421.511 Base-Backbone interact. energy: 0.995 local terms energy: -449.112910 where: bonds (distance) C4'-P energy: -90.468 bonds (distance) P-C4' energy: -82.895 flat angles C4'-P-C4' energy: -100.021 flat angles P-C4'-P energy: -66.821 tors. eta vs tors. theta energy: -108.908 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: 3 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1278.888023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.888023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.888023 (E_RNA) where: Base-Base interactions energy: -886.281 where: short stacking energy: -381.917 Base-Backbone interact. energy: -3.241 local terms energy: -389.365360 where: bonds (distance) C4'-P energy: -63.494 bonds (distance) P-C4' energy: -69.284 flat angles C4'-P-C4' energy: -91.255 flat angles P-C4'-P energy: -59.236 tors. eta vs tors. theta energy: -106.097 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: 5 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1145.857790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.857790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.857790 (E_RNA) where: Base-Base interactions energy: -775.197 where: short stacking energy: -326.233 Base-Backbone interact. energy: 3.569 local terms energy: -374.229898 where: bonds (distance) C4'-P energy: -69.365 bonds (distance) P-C4' energy: -86.533 flat angles C4'-P-C4' energy: -87.456 flat angles P-C4'-P energy: -50.152 tors. eta vs tors. theta energy: -80.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -954.955468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.955468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.955468 (E_RNA) where: Base-Base interactions energy: -615.223 where: short stacking energy: -267.705 Base-Backbone interact. energy: 1.005 local terms energy: -340.738087 where: bonds (distance) C4'-P energy: -86.127 bonds (distance) P-C4' energy: -69.251 flat angles C4'-P-C4' energy: -93.788 flat angles P-C4'-P energy: -37.671 tors. eta vs tors. theta energy: -53.902 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: 1 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -738.662299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.662299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.662299 (E_RNA) where: Base-Base interactions energy: -425.714 where: short stacking energy: -235.115 Base-Backbone interact. energy: -1.037 local terms energy: -311.911793 where: bonds (distance) C4'-P energy: -74.051 bonds (distance) P-C4' energy: -89.127 flat angles C4'-P-C4' energy: -77.296 flat angles P-C4'-P energy: -49.905 tors. eta vs tors. theta energy: -21.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -579.051250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.051250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.051250 (E_RNA) where: Base-Base interactions energy: -287.908 where: short stacking energy: -149.124 Base-Backbone interact. energy: 0.290 local terms energy: -291.433668 where: bonds (distance) C4'-P energy: -82.209 bonds (distance) P-C4' energy: -83.415 flat angles C4'-P-C4' energy: -74.511 flat angles P-C4'-P energy: -38.681 tors. eta vs tors. theta energy: -12.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1712.646015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.646015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.646015 (E_RNA) where: Base-Base interactions energy: -1190.815 where: short stacking energy: -529.061 Base-Backbone interact. energy: 7.804 local terms energy: -529.634399 where: bonds (distance) C4'-P energy: -97.372 bonds (distance) P-C4' energy: -94.271 flat angles C4'-P-C4' energy: -109.765 flat angles P-C4'-P energy: -77.559 tors. eta vs tors. theta energy: -150.668 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: 8 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1661.966911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.966911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.966911 (E_RNA) where: Base-Base interactions energy: -1139.005 where: short stacking energy: -492.482 Base-Backbone interact. energy: 4.060 local terms energy: -527.021371 where: bonds (distance) C4'-P energy: -99.434 bonds (distance) P-C4' energy: -93.550 flat angles C4'-P-C4' energy: -119.028 flat angles P-C4'-P energy: -67.526 tors. eta vs tors. theta energy: -147.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1589.527597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.527597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.527597 (E_RNA) where: Base-Base interactions energy: -1111.308 where: short stacking energy: -466.497 Base-Backbone interact. energy: -2.305 local terms energy: -475.914417 where: bonds (distance) C4'-P energy: -83.665 bonds (distance) P-C4' energy: -86.577 flat angles C4'-P-C4' energy: -108.843 flat angles P-C4'-P energy: -60.950 tors. eta vs tors. theta energy: -135.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1481.658808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.658808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.658808 (E_RNA) where: Base-Base interactions energy: -1006.385 where: short stacking energy: -439.279 Base-Backbone interact. energy: -1.411 local terms energy: -473.863374 where: bonds (distance) C4'-P energy: -79.259 bonds (distance) P-C4' energy: -103.646 flat angles C4'-P-C4' energy: -102.728 flat angles P-C4'-P energy: -73.689 tors. eta vs tors. theta energy: -114.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1457.142909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.142909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.142909 (E_RNA) where: Base-Base interactions energy: -1022.814 where: short stacking energy: -412.202 Base-Backbone interact. energy: -0.796 local terms energy: -433.533560 where: bonds (distance) C4'-P energy: -70.933 bonds (distance) P-C4' energy: -81.981 flat angles C4'-P-C4' energy: -103.957 flat angles P-C4'-P energy: -59.049 tors. eta vs tors. theta energy: -117.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1304.045392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.045392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.045392 (E_RNA) where: Base-Base interactions energy: -883.032 where: short stacking energy: -368.352 Base-Backbone interact. energy: 0.757 local terms energy: -421.770377 where: bonds (distance) C4'-P energy: -88.347 bonds (distance) P-C4' energy: -83.623 flat angles C4'-P-C4' energy: -95.250 flat angles P-C4'-P energy: -50.353 tors. eta vs tors. theta energy: -104.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1109.476405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.476405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.476405 (E_RNA) where: Base-Base interactions energy: -725.658 where: short stacking energy: -323.746 Base-Backbone interact. energy: -2.943 local terms energy: -380.875539 where: bonds (distance) C4'-P energy: -73.276 bonds (distance) P-C4' energy: -84.047 flat angles C4'-P-C4' energy: -88.243 flat angles P-C4'-P energy: -62.754 tors. eta vs tors. theta energy: -72.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -922.863733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.863733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.863733 (E_RNA) where: Base-Base interactions energy: -586.168 where: short stacking energy: -269.618 Base-Backbone interact. energy: -2.134 local terms energy: -334.562234 where: bonds (distance) C4'-P energy: -72.028 bonds (distance) P-C4' energy: -86.427 flat angles C4'-P-C4' energy: -81.462 flat angles P-C4'-P energy: -34.977 tors. eta vs tors. theta energy: -59.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -746.981057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.981057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.981057 (E_RNA) where: Base-Base interactions energy: -416.299 where: short stacking energy: -224.607 Base-Backbone interact. energy: -2.696 local terms energy: -327.986467 where: bonds (distance) C4'-P energy: -81.244 bonds (distance) P-C4' energy: -83.219 flat angles C4'-P-C4' energy: -84.574 flat angles P-C4'-P energy: -42.995 tors. eta vs tors. theta energy: -35.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -616.246194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.246194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.246194 (E_RNA) where: Base-Base interactions energy: -342.598 where: short stacking energy: -188.973 Base-Backbone interact. energy: -2.651 local terms energy: -270.997374 where: bonds (distance) C4'-P energy: -71.345 bonds (distance) P-C4' energy: -98.516 flat angles C4'-P-C4' energy: -72.178 flat angles P-C4'-P energy: -30.289 tors. eta vs tors. theta energy: 1.331 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: 1, replica: 8 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1710.275850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.275850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.275850 (E_RNA) where: Base-Base interactions energy: -1160.313 where: short stacking energy: -494.064 Base-Backbone interact. energy: -3.339 local terms energy: -546.623873 where: bonds (distance) C4'-P energy: -107.497 bonds (distance) P-C4' energy: -103.121 flat angles C4'-P-C4' energy: -112.996 flat angles P-C4'-P energy: -75.277 tors. eta vs tors. theta energy: -147.733 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: 6 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1686.846177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.846177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.846177 (E_RNA) where: Base-Base interactions energy: -1162.337 where: short stacking energy: -518.728 Base-Backbone interact. energy: -2.548 local terms energy: -521.960814 where: bonds (distance) C4'-P energy: -92.061 bonds (distance) P-C4' energy: -89.759 flat angles C4'-P-C4' energy: -110.733 flat angles P-C4'-P energy: -79.312 tors. eta vs tors. theta energy: -150.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1573.203903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.203903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.203903 (E_RNA) where: Base-Base interactions energy: -1086.699 where: short stacking energy: -458.860 Base-Backbone interact. energy: -0.923 local terms energy: -485.582381 where: bonds (distance) C4'-P energy: -83.735 bonds (distance) P-C4' energy: -85.600 flat angles C4'-P-C4' energy: -94.629 flat angles P-C4'-P energy: -82.164 tors. eta vs tors. theta energy: -139.454 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: 2 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1530.595450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.595450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.595450 (E_RNA) where: Base-Base interactions energy: -1047.703 where: short stacking energy: -447.152 Base-Backbone interact. energy: -2.785 local terms energy: -480.107756 where: bonds (distance) C4'-P energy: -95.959 bonds (distance) P-C4' energy: -84.358 flat angles C4'-P-C4' energy: -100.254 flat angles P-C4'-P energy: -66.983 tors. eta vs tors. theta energy: -132.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1436.271227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.271227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.271227 (E_RNA) where: Base-Base interactions energy: -1016.194 where: short stacking energy: -436.219 Base-Backbone interact. energy: -0.072 local terms energy: -420.004825 where: bonds (distance) C4'-P energy: -57.987 bonds (distance) P-C4' energy: -75.600 flat angles C4'-P-C4' energy: -115.339 flat angles P-C4'-P energy: -64.837 tors. eta vs tors. theta energy: -106.242 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: 3 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1255.285230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.285230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.285230 (E_RNA) where: Base-Base interactions energy: -837.281 where: short stacking energy: -376.481 Base-Backbone interact. energy: -3.828 local terms energy: -414.176354 where: bonds (distance) C4'-P energy: -78.091 bonds (distance) P-C4' energy: -81.714 flat angles C4'-P-C4' energy: -96.784 flat angles P-C4'-P energy: -60.989 tors. eta vs tors. theta energy: -96.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1111.963423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.963423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.963423 (E_RNA) where: Base-Base interactions energy: -737.394 where: short stacking energy: -327.664 Base-Backbone interact. energy: 7.566 local terms energy: -382.135285 where: bonds (distance) C4'-P energy: -82.158 bonds (distance) P-C4' energy: -67.462 flat angles C4'-P-C4' energy: -100.039 flat angles P-C4'-P energy: -46.217 tors. eta vs tors. theta energy: -86.259 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: 7 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -901.633855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.633855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.633855 (E_RNA) where: Base-Base interactions energy: -546.211 where: short stacking energy: -269.642 Base-Backbone interact. energy: -2.885 local terms energy: -352.538022 where: bonds (distance) C4'-P energy: -82.612 bonds (distance) P-C4' energy: -86.679 flat angles C4'-P-C4' energy: -96.387 flat angles P-C4'-P energy: -36.330 tors. eta vs tors. theta energy: -50.531 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: 9, replica: 1 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -766.700135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.700135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.700135 (E_RNA) where: Base-Base interactions energy: -451.888 where: short stacking energy: -236.422 Base-Backbone interact. energy: 4.606 local terms energy: -319.418581 where: bonds (distance) C4'-P energy: -78.618 bonds (distance) P-C4' energy: -73.246 flat angles C4'-P-C4' energy: -77.411 flat angles P-C4'-P energy: -48.877 tors. eta vs tors. theta energy: -41.268 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: 9 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -613.165201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.165201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.165201 (E_RNA) where: Base-Base interactions energy: -307.674 where: short stacking energy: -159.999 Base-Backbone interact. energy: -1.686 local terms energy: -303.804801 where: bonds (distance) C4'-P energy: -78.576 bonds (distance) P-C4' energy: -87.130 flat angles C4'-P-C4' energy: -87.225 flat angles P-C4'-P energy: -47.130 tors. eta vs tors. theta energy: -3.744 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: 183 Temperature: 0.900000 Total energy: -1707.052141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.052141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.052141 (E_RNA) where: Base-Base interactions energy: -1181.898 where: short stacking energy: -514.844 Base-Backbone interact. energy: 1.079 local terms energy: -526.233019 where: bonds (distance) C4'-P energy: -89.776 bonds (distance) P-C4' energy: -104.888 flat angles C4'-P-C4' energy: -115.294 flat angles P-C4'-P energy: -73.158 tors. eta vs tors. theta energy: -143.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1675.796464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.796464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.796464 (E_RNA) where: Base-Base interactions energy: -1131.354 where: short stacking energy: -515.193 Base-Backbone interact. energy: -0.577 local terms energy: -543.865098 where: bonds (distance) C4'-P energy: -103.531 bonds (distance) P-C4' energy: -88.653 flat angles C4'-P-C4' energy: -117.117 flat angles P-C4'-P energy: -80.946 tors. eta vs tors. theta energy: -153.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1560.240619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.240619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.240619 (E_RNA) where: Base-Base interactions energy: -1060.368 where: short stacking energy: -451.590 Base-Backbone interact. energy: -2.477 local terms energy: -497.395482 where: bonds (distance) C4'-P energy: -97.972 bonds (distance) P-C4' energy: -91.478 flat angles C4'-P-C4' energy: -106.467 flat angles P-C4'-P energy: -73.738 tors. eta vs tors. theta energy: -127.741 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: 2 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1513.635232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.635232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.635232 (E_RNA) where: Base-Base interactions energy: -1038.289 where: short stacking energy: -432.958 Base-Backbone interact. energy: -3.087 local terms energy: -472.259422 where: bonds (distance) C4'-P energy: -95.953 bonds (distance) P-C4' energy: -91.266 flat angles C4'-P-C4' energy: -93.083 flat angles P-C4'-P energy: -65.093 tors. eta vs tors. theta energy: -126.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1424.806435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.806435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.806435 (E_RNA) where: Base-Base interactions energy: -979.308 where: short stacking energy: -421.968 Base-Backbone interact. energy: -1.680 local terms energy: -443.818305 where: bonds (distance) C4'-P energy: -71.468 bonds (distance) P-C4' energy: -92.916 flat angles C4'-P-C4' energy: -101.087 flat angles P-C4'-P energy: -58.049 tors. eta vs tors. theta energy: -120.298 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: 3 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1277.737356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.737356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.737356 (E_RNA) where: Base-Base interactions energy: -833.221 where: short stacking energy: -368.940 Base-Backbone interact. energy: 2.176 local terms energy: -446.692004 where: bonds (distance) C4'-P energy: -82.948 bonds (distance) P-C4' energy: -101.159 flat angles C4'-P-C4' energy: -93.845 flat angles P-C4'-P energy: -61.474 tors. eta vs tors. theta energy: -107.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1124.456923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.456923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.456923 (E_RNA) where: Base-Base interactions energy: -731.265 where: short stacking energy: -318.514 Base-Backbone interact. energy: 0.519 local terms energy: -393.710693 where: bonds (distance) C4'-P energy: -82.462 bonds (distance) P-C4' energy: -90.493 flat angles C4'-P-C4' energy: -86.131 flat angles P-C4'-P energy: -63.005 tors. eta vs tors. theta energy: -71.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -935.137156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.137156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.137156 (E_RNA) where: Base-Base interactions energy: -587.039 where: short stacking energy: -267.644 Base-Backbone interact. energy: 0.306 local terms energy: -348.404010 where: bonds (distance) C4'-P energy: -84.620 bonds (distance) P-C4' energy: -90.630 flat angles C4'-P-C4' energy: -81.320 flat angles P-C4'-P energy: -46.337 tors. eta vs tors. theta energy: -45.498 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: 1 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -710.315454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.315454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.315454 (E_RNA) where: Base-Base interactions energy: -417.856 where: short stacking energy: -204.440 Base-Backbone interact. energy: -3.484 local terms energy: -288.974759 where: bonds (distance) C4'-P energy: -73.631 bonds (distance) P-C4' energy: -69.390 flat angles C4'-P-C4' energy: -82.636 flat angles P-C4'-P energy: -42.222 tors. eta vs tors. theta energy: -21.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -540.500963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.500963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.500963 (E_RNA) where: Base-Base interactions energy: -289.774 where: short stacking energy: -166.014 Base-Backbone interact. energy: 0.806 local terms energy: -251.532925 where: bonds (distance) C4'-P energy: -90.923 bonds (distance) P-C4' energy: -71.504 flat angles C4'-P-C4' energy: -65.134 flat angles P-C4'-P energy: -37.436 tors. eta vs tors. theta energy: 13.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1719.219192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.219192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.219192 (E_RNA) where: Base-Base interactions energy: -1192.476 where: short stacking energy: -522.123 Base-Backbone interact. energy: -1.307 local terms energy: -525.436381 where: bonds (distance) C4'-P energy: -89.726 bonds (distance) P-C4' energy: -89.900 flat angles C4'-P-C4' energy: -121.928 flat angles P-C4'-P energy: -75.888 tors. eta vs tors. theta energy: -147.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1683.397920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.397920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.397920 (E_RNA) where: Base-Base interactions energy: -1170.264 where: short stacking energy: -533.436 Base-Backbone interact. energy: -0.707 local terms energy: -512.426427 where: bonds (distance) C4'-P energy: -90.915 bonds (distance) P-C4' energy: -90.722 flat angles C4'-P-C4' energy: -105.254 flat angles P-C4'-P energy: -73.981 tors. eta vs tors. theta energy: -151.555 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: 10 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1568.455666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.455666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.455666 (E_RNA) where: Base-Base interactions energy: -1071.815 where: short stacking energy: -453.504 Base-Backbone interact. energy: 0.352 local terms energy: -496.993299 where: bonds (distance) C4'-P energy: -92.898 bonds (distance) P-C4' energy: -93.251 flat angles C4'-P-C4' energy: -109.110 flat angles P-C4'-P energy: -76.739 tors. eta vs tors. theta energy: -124.995 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: 2 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1538.009473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.009473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.009473 (E_RNA) where: Base-Base interactions energy: -1074.271 where: short stacking energy: -454.524 Base-Backbone interact. energy: -0.596 local terms energy: -463.142514 where: bonds (distance) C4'-P energy: -87.862 bonds (distance) P-C4' energy: -92.695 flat angles C4'-P-C4' energy: -86.558 flat angles P-C4'-P energy: -59.945 tors. eta vs tors. theta energy: -136.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1434.237490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.237490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.237490 (E_RNA) where: Base-Base interactions energy: -989.910 where: short stacking energy: -419.763 Base-Backbone interact. energy: 1.663 local terms energy: -445.991013 where: bonds (distance) C4'-P energy: -86.493 bonds (distance) P-C4' energy: -100.642 flat angles C4'-P-C4' energy: -95.661 flat angles P-C4'-P energy: -67.339 tors. eta vs tors. theta energy: -95.856 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: 3 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1286.465191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.465191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.465191 (E_RNA) where: Base-Base interactions energy: -861.382 where: short stacking energy: -366.124 Base-Backbone interact. energy: -0.508 local terms energy: -424.575167 where: bonds (distance) C4'-P energy: -78.855 bonds (distance) P-C4' energy: -84.577 flat angles C4'-P-C4' energy: -94.198 flat angles P-C4'-P energy: -64.829 tors. eta vs tors. theta energy: -102.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1057.311474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.311474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.311474 (E_RNA) where: Base-Base interactions energy: -691.778 where: short stacking energy: -312.149 Base-Backbone interact. energy: -1.622 local terms energy: -363.911354 where: bonds (distance) C4'-P energy: -78.635 bonds (distance) P-C4' energy: -87.828 flat angles C4'-P-C4' energy: -79.558 flat angles P-C4'-P energy: -47.984 tors. eta vs tors. theta energy: -69.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -961.853558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.853558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.853558 (E_RNA) where: Base-Base interactions energy: -617.087 where: short stacking energy: -271.827 Base-Backbone interact. energy: -0.588 local terms energy: -344.178516 where: bonds (distance) C4'-P energy: -78.055 bonds (distance) P-C4' energy: -72.848 flat angles C4'-P-C4' energy: -83.059 flat angles P-C4'-P energy: -64.560 tors. eta vs tors. theta energy: -45.657 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: 9, replica: 1 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -766.718693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.718693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.718693 (E_RNA) where: Base-Base interactions energy: -452.549 where: short stacking energy: -219.891 Base-Backbone interact. energy: -0.902 local terms energy: -313.268442 where: bonds (distance) C4'-P energy: -85.180 bonds (distance) P-C4' energy: -74.877 flat angles C4'-P-C4' energy: -97.198 flat angles P-C4'-P energy: -32.190 tors. eta vs tors. theta energy: -23.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -574.314605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.314605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.314605 (E_RNA) where: Base-Base interactions energy: -311.928 where: short stacking energy: -176.590 Base-Backbone interact. energy: 2.398 local terms energy: -264.784447 where: bonds (distance) C4'-P energy: -51.875 bonds (distance) P-C4' energy: -82.026 flat angles C4'-P-C4' energy: -74.284 flat angles P-C4'-P energy: -41.205 tors. eta vs tors. theta energy: -15.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1715.449527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.449527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.449527 (E_RNA) where: Base-Base interactions energy: -1185.972 where: short stacking energy: -525.035 Base-Backbone interact. energy: -2.040 local terms energy: -527.437520 where: bonds (distance) C4'-P energy: -108.386 bonds (distance) P-C4' energy: -96.018 flat angles C4'-P-C4' energy: -107.972 flat angles P-C4'-P energy: -68.868 tors. eta vs tors. theta energy: -146.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1613.551619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.551619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.551619 (E_RNA) where: Base-Base interactions energy: -1126.149 where: short stacking energy: -470.125 Base-Backbone interact. energy: -1.976 local terms energy: -485.426422 where: bonds (distance) C4'-P energy: -95.131 bonds (distance) P-C4' energy: -88.153 flat angles C4'-P-C4' energy: -102.295 flat angles P-C4'-P energy: -68.099 tors. eta vs tors. theta energy: -131.748 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: 185 Temperature: 1.000000 Total energy: -1650.110350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.110350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.110350 (E_RNA) where: Base-Base interactions energy: -1139.233 where: short stacking energy: -500.158 Base-Backbone interact. energy: 0.124 local terms energy: -511.001258 where: bonds (distance) C4'-P energy: -94.800 bonds (distance) P-C4' energy: -89.857 flat angles C4'-P-C4' energy: -108.726 flat angles P-C4'-P energy: -68.791 tors. eta vs tors. theta energy: -148.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1520.952542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.952542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.952542 (E_RNA) where: Base-Base interactions energy: -1057.072 where: short stacking energy: -454.059 Base-Backbone interact. energy: -2.066 local terms energy: -461.815260 where: bonds (distance) C4'-P energy: -91.239 bonds (distance) P-C4' energy: -78.746 flat angles C4'-P-C4' energy: -95.981 flat angles P-C4'-P energy: -63.962 tors. eta vs tors. theta energy: -131.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -1443.493904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.493904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.493904 (E_RNA) where: Base-Base interactions energy: -981.993 where: short stacking energy: -430.980 Base-Backbone interact. energy: -2.190 local terms energy: -459.310987 where: bonds (distance) C4'-P energy: -87.501 bonds (distance) P-C4' energy: -92.208 flat angles C4'-P-C4' energy: -98.607 flat angles P-C4'-P energy: -60.960 tors. eta vs tors. theta energy: -120.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1323.033221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.033221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.033221 (E_RNA) where: Base-Base interactions energy: -876.250 where: short stacking energy: -408.529 Base-Backbone interact. energy: -2.029 local terms energy: -444.754531 where: bonds (distance) C4'-P energy: -77.728 bonds (distance) P-C4' energy: -85.999 flat angles C4'-P-C4' energy: -105.005 flat angles P-C4'-P energy: -66.842 tors. eta vs tors. theta energy: -109.181 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: 5 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1061.193727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.193727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.193727 (E_RNA) where: Base-Base interactions energy: -687.403 where: short stacking energy: -303.588 Base-Backbone interact. energy: 0.899 local terms energy: -374.689338 where: bonds (distance) C4'-P energy: -83.386 bonds (distance) P-C4' energy: -91.935 flat angles C4'-P-C4' energy: -79.892 flat angles P-C4'-P energy: -54.623 tors. eta vs tors. theta energy: -64.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -907.592923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.592923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.592923 (E_RNA) where: Base-Base interactions energy: -549.142 where: short stacking energy: -219.747 Base-Backbone interact. energy: -1.713 local terms energy: -356.737938 where: bonds (distance) C4'-P energy: -84.722 bonds (distance) P-C4' energy: -84.393 flat angles C4'-P-C4' energy: -95.787 flat angles P-C4'-P energy: -54.659 tors. eta vs tors. theta energy: -37.176 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: 1 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -762.264675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.264675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.264675 (E_RNA) where: Base-Base interactions energy: -472.974 where: short stacking energy: -204.478 Base-Backbone interact. energy: 4.198 local terms energy: -293.488032 where: bonds (distance) C4'-P energy: -75.984 bonds (distance) P-C4' energy: -74.926 flat angles C4'-P-C4' energy: -74.921 flat angles P-C4'-P energy: -54.372 tors. eta vs tors. theta energy: -13.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -553.639715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.639715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.639715 (E_RNA) where: Base-Base interactions energy: -275.888 where: short stacking energy: -154.329 Base-Backbone interact. energy: 0.098 local terms energy: -277.849273 where: bonds (distance) C4'-P energy: -79.732 bonds (distance) P-C4' energy: -87.277 flat angles C4'-P-C4' energy: -84.923 flat angles P-C4'-P energy: -25.813 tors. eta vs tors. theta energy: -0.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1703.094140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.094140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.094140 (E_RNA) where: Base-Base interactions energy: -1180.181 where: short stacking energy: -530.013 Base-Backbone interact. energy: 0.858 local terms energy: -523.770478 where: bonds (distance) C4'-P energy: -89.538 bonds (distance) P-C4' energy: -94.008 flat angles C4'-P-C4' energy: -115.273 flat angles P-C4'-P energy: -76.777 tors. eta vs tors. theta energy: -148.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1647.912304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.912304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.912304 (E_RNA) where: Base-Base interactions energy: -1136.325 where: short stacking energy: -484.840 Base-Backbone interact. energy: -0.348 local terms energy: -511.240162 where: bonds (distance) C4'-P energy: -91.781 bonds (distance) P-C4' energy: -102.252 flat angles C4'-P-C4' energy: -101.470 flat angles P-C4'-P energy: -78.601 tors. eta vs tors. theta energy: -137.136 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: 6 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1658.014960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.014960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.014960 (E_RNA) where: Base-Base interactions energy: -1126.653 where: short stacking energy: -505.814 Base-Backbone interact. energy: 0.249 local terms energy: -531.610812 where: bonds (distance) C4'-P energy: -85.611 bonds (distance) P-C4' energy: -96.040 flat angles C4'-P-C4' energy: -113.205 flat angles P-C4'-P energy: -73.857 tors. eta vs tors. theta energy: -162.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1483.134799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.134799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.134799 (E_RNA) where: Base-Base interactions energy: -992.961 where: short stacking energy: -443.101 Base-Backbone interact. energy: -0.826 local terms energy: -489.347855 where: bonds (distance) C4'-P energy: -91.132 bonds (distance) P-C4' energy: -100.974 flat angles C4'-P-C4' energy: -99.167 flat angles P-C4'-P energy: -69.010 tors. eta vs tors. theta energy: -129.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1468.930569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.930569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.930569 (E_RNA) where: Base-Base interactions energy: -1028.503 where: short stacking energy: -430.619 Base-Backbone interact. energy: -0.544 local terms energy: -439.883759 where: bonds (distance) C4'-P energy: -88.881 bonds (distance) P-C4' energy: -91.002 flat angles C4'-P-C4' energy: -90.477 flat angles P-C4'-P energy: -54.244 tors. eta vs tors. theta energy: -115.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1357.129533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.129533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.129533 (E_RNA) where: Base-Base interactions energy: -887.263 where: short stacking energy: -385.513 Base-Backbone interact. energy: -0.271 local terms energy: -469.594773 where: bonds (distance) C4'-P energy: -82.912 bonds (distance) P-C4' energy: -87.697 flat angles C4'-P-C4' energy: -94.914 flat angles P-C4'-P energy: -75.622 tors. eta vs tors. theta energy: -128.450 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: 7, replica: 5 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1085.391757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.391757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.391757 (E_RNA) where: Base-Base interactions energy: -679.131 where: short stacking energy: -314.986 Base-Backbone interact. energy: -3.161 local terms energy: -403.100221 where: bonds (distance) C4'-P energy: -81.790 bonds (distance) P-C4' energy: -94.186 flat angles C4'-P-C4' energy: -98.232 flat angles P-C4'-P energy: -62.011 tors. eta vs tors. theta energy: -66.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -983.285134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.285134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.285134 (E_RNA) where: Base-Base interactions energy: -628.782 where: short stacking energy: -290.082 Base-Backbone interact. energy: 0.068 local terms energy: -354.571373 where: bonds (distance) C4'-P energy: -72.803 bonds (distance) P-C4' energy: -89.153 flat angles C4'-P-C4' energy: -89.755 flat angles P-C4'-P energy: -48.311 tors. eta vs tors. theta energy: -54.549 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: 1 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -748.614773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.614773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.614773 (E_RNA) where: Base-Base interactions energy: -420.170 where: short stacking energy: -232.497 Base-Backbone interact. energy: -1.274 local terms energy: -327.170521 where: bonds (distance) C4'-P energy: -88.848 bonds (distance) P-C4' energy: -93.598 flat angles C4'-P-C4' energy: -82.973 flat angles P-C4'-P energy: -26.154 tors. eta vs tors. theta energy: -35.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -556.695423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.695423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.695423 (E_RNA) where: Base-Base interactions energy: -301.868 where: short stacking energy: -173.439 Base-Backbone interact. energy: 5.710 local terms energy: -260.537198 where: bonds (distance) C4'-P energy: -70.268 bonds (distance) P-C4' energy: -69.189 flat angles C4'-P-C4' energy: -63.718 flat angles P-C4'-P energy: -40.125 tors. eta vs tors. theta energy: -17.237 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: 187 Temperature: 0.900000 Total energy: -1718.911429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.911429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.911429 (E_RNA) where: Base-Base interactions energy: -1193.510 where: short stacking energy: -509.489 Base-Backbone interact. energy: -1.035 local terms energy: -524.366356 where: bonds (distance) C4'-P energy: -95.516 bonds (distance) P-C4' energy: -104.568 flat angles C4'-P-C4' energy: -111.212 flat angles P-C4'-P energy: -70.251 tors. eta vs tors. theta energy: -142.819 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: 6 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1686.141895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.141895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.141895 (E_RNA) where: Base-Base interactions energy: -1150.176 where: short stacking energy: -501.382 Base-Backbone interact. energy: 1.305 local terms energy: -537.271010 where: bonds (distance) C4'-P energy: -99.466 bonds (distance) P-C4' energy: -92.847 flat angles C4'-P-C4' energy: -107.232 flat angles P-C4'-P energy: -72.254 tors. eta vs tors. theta energy: -165.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1614.055152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.055152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.055152 (E_RNA) where: Base-Base interactions energy: -1129.204 where: short stacking energy: -440.352 Base-Backbone interact. energy: -3.224 local terms energy: -481.626744 where: bonds (distance) C4'-P energy: -89.712 bonds (distance) P-C4' energy: -81.237 flat angles C4'-P-C4' energy: -102.943 flat angles P-C4'-P energy: -71.595 tors. eta vs tors. theta energy: -136.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1461.721982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.721982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.721982 (E_RNA) where: Base-Base interactions energy: -997.658 where: short stacking energy: -420.302 Base-Backbone interact. energy: -0.253 local terms energy: -463.810772 where: bonds (distance) C4'-P energy: -93.471 bonds (distance) P-C4' energy: -92.222 flat angles C4'-P-C4' energy: -101.983 flat angles P-C4'-P energy: -61.636 tors. eta vs tors. theta energy: -114.499 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: 2 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1448.118834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.118834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.118834 (E_RNA) where: Base-Base interactions energy: -999.173 where: short stacking energy: -443.778 Base-Backbone interact. energy: -1.684 local terms energy: -447.262385 where: bonds (distance) C4'-P energy: -81.516 bonds (distance) P-C4' energy: -80.942 flat angles C4'-P-C4' energy: -96.794 flat angles P-C4'-P energy: -63.376 tors. eta vs tors. theta energy: -124.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1329.830195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.830195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.830195 (E_RNA) where: Base-Base interactions energy: -889.970 where: short stacking energy: -389.714 Base-Backbone interact. energy: 1.373 local terms energy: -441.233391 where: bonds (distance) C4'-P energy: -81.611 bonds (distance) P-C4' energy: -80.153 flat angles C4'-P-C4' energy: -99.654 flat angles P-C4'-P energy: -56.807 tors. eta vs tors. theta energy: -123.008 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: 5 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1012.461409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.461409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.461409 (E_RNA) where: Base-Base interactions energy: -670.776 where: short stacking energy: -293.932 Base-Backbone interact. energy: -0.382 local terms energy: -341.303084 where: bonds (distance) C4'-P energy: -75.259 bonds (distance) P-C4' energy: -74.893 flat angles C4'-P-C4' energy: -88.999 flat angles P-C4'-P energy: -48.618 tors. eta vs tors. theta energy: -53.535 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: 7 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -972.912726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.912726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.912726 (E_RNA) where: Base-Base interactions energy: -629.652 where: short stacking energy: -285.332 Base-Backbone interact. energy: -2.842 local terms energy: -340.418962 where: bonds (distance) C4'-P energy: -83.034 bonds (distance) P-C4' energy: -64.544 flat angles C4'-P-C4' energy: -84.869 flat angles P-C4'-P energy: -52.324 tors. eta vs tors. theta energy: -55.648 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: 1 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -686.232290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.232290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.232290 (E_RNA) where: Base-Base interactions energy: -387.793 where: short stacking energy: -195.031 Base-Backbone interact. energy: 0.204 local terms energy: -298.642753 where: bonds (distance) C4'-P energy: -71.251 bonds (distance) P-C4' energy: -90.639 flat angles C4'-P-C4' energy: -80.205 flat angles P-C4'-P energy: -38.607 tors. eta vs tors. theta energy: -17.941 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: 10, replica: 9 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -557.636480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.636480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.636480 (E_RNA) where: Base-Base interactions energy: -270.808 where: short stacking energy: -144.161 Base-Backbone interact. energy: -1.341 local terms energy: -285.487689 where: bonds (distance) C4'-P energy: -80.304 bonds (distance) P-C4' energy: -90.574 flat angles C4'-P-C4' energy: -71.083 flat angles P-C4'-P energy: -47.435 tors. eta vs tors. theta energy: 3.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1749.421515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.421515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.421515 (E_RNA) where: Base-Base interactions energy: -1205.889 where: short stacking energy: -529.962 Base-Backbone interact. energy: -2.080 local terms energy: -541.452227 where: bonds (distance) C4'-P energy: -99.369 bonds (distance) P-C4' energy: -88.090 flat angles C4'-P-C4' energy: -114.808 flat angles P-C4'-P energy: -83.140 tors. eta vs tors. theta energy: -156.045 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: 8 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1695.232778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.232778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.232778 (E_RNA) where: Base-Base interactions energy: -1170.057 where: short stacking energy: -503.278 Base-Backbone interact. energy: -1.818 local terms energy: -523.357813 where: bonds (distance) C4'-P energy: -94.704 bonds (distance) P-C4' energy: -94.452 flat angles C4'-P-C4' energy: -105.856 flat angles P-C4'-P energy: -75.344 tors. eta vs tors. theta energy: -153.003 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: 10 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1620.494555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.494555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.494555 (E_RNA) where: Base-Base interactions energy: -1121.373 where: short stacking energy: -459.644 Base-Backbone interact. energy: -1.038 local terms energy: -498.083722 where: bonds (distance) C4'-P energy: -90.488 bonds (distance) P-C4' energy: -95.077 flat angles C4'-P-C4' energy: -107.363 flat angles P-C4'-P energy: -70.771 tors. eta vs tors. theta energy: -134.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1457.248555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.248555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.248555 (E_RNA) where: Base-Base interactions energy: -971.477 where: short stacking energy: -415.344 Base-Backbone interact. energy: 0.098 local terms energy: -485.869878 where: bonds (distance) C4'-P energy: -85.641 bonds (distance) P-C4' energy: -86.835 flat angles C4'-P-C4' energy: -110.080 flat angles P-C4'-P energy: -82.955 tors. eta vs tors. theta energy: -120.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1437.134072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.134072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.134072 (E_RNA) where: Base-Base interactions energy: -955.195 where: short stacking energy: -420.268 Base-Backbone interact. energy: 0.032 local terms energy: -481.971018 where: bonds (distance) C4'-P energy: -98.703 bonds (distance) P-C4' energy: -83.390 flat angles C4'-P-C4' energy: -102.048 flat angles P-C4'-P energy: -62.387 tors. eta vs tors. theta energy: -135.444 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: 3 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1348.674699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.674699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.674699 (E_RNA) where: Base-Base interactions energy: -895.327 where: short stacking energy: -384.333 Base-Backbone interact. energy: -1.115 local terms energy: -452.232869 where: bonds (distance) C4'-P energy: -82.639 bonds (distance) P-C4' energy: -94.627 flat angles C4'-P-C4' energy: -98.911 flat angles P-C4'-P energy: -57.926 tors. eta vs tors. theta energy: -118.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1065.948006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.948006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.948006 (E_RNA) where: Base-Base interactions energy: -715.727 where: short stacking energy: -323.562 Base-Backbone interact. energy: -0.933 local terms energy: -349.287644 where: bonds (distance) C4'-P energy: -69.929 bonds (distance) P-C4' energy: -67.643 flat angles C4'-P-C4' energy: -87.141 flat angles P-C4'-P energy: -59.652 tors. eta vs tors. theta energy: -64.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -871.059219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.059219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.059219 (E_RNA) where: Base-Base interactions energy: -540.644 where: short stacking energy: -275.316 Base-Backbone interact. energy: 0.282 local terms energy: -330.697535 where: bonds (distance) C4'-P energy: -75.461 bonds (distance) P-C4' energy: -92.818 flat angles C4'-P-C4' energy: -74.609 flat angles P-C4'-P energy: -35.994 tors. eta vs tors. theta energy: -51.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -631.735315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.735315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.735315 (E_RNA) where: Base-Base interactions energy: -352.468 where: short stacking energy: -200.942 Base-Backbone interact. energy: 8.136 local terms energy: -287.403443 where: bonds (distance) C4'-P energy: -76.438 bonds (distance) P-C4' energy: -92.988 flat angles C4'-P-C4' energy: -61.773 flat angles P-C4'-P energy: -45.213 tors. eta vs tors. theta energy: -10.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -636.925884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.925884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.925884 (E_RNA) where: Base-Base interactions energy: -364.650 where: short stacking energy: -159.135 Base-Backbone interact. energy: 5.894 local terms energy: -278.170047 where: bonds (distance) C4'-P energy: -82.465 bonds (distance) P-C4' energy: -84.709 flat angles C4'-P-C4' energy: -65.628 flat angles P-C4'-P energy: -43.430 tors. eta vs tors. theta energy: -1.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1744.447332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.447332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.447332 (E_RNA) where: Base-Base interactions energy: -1217.269 where: short stacking energy: -548.046 Base-Backbone interact. energy: -2.380 local terms energy: -524.797463 where: bonds (distance) C4'-P energy: -95.149 bonds (distance) P-C4' energy: -108.762 flat angles C4'-P-C4' energy: -100.523 flat angles P-C4'-P energy: -60.901 tors. eta vs tors. theta energy: -159.463 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: 8 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1712.439653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.439653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.439653 (E_RNA) where: Base-Base interactions energy: -1170.588 where: short stacking energy: -511.286 Base-Backbone interact. energy: -5.962 local terms energy: -535.890108 where: bonds (distance) C4'-P energy: -93.328 bonds (distance) P-C4' energy: -108.062 flat angles C4'-P-C4' energy: -112.492 flat angles P-C4'-P energy: -73.114 tors. eta vs tors. theta energy: -148.895 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: 10 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1589.989913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.989913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.989913 (E_RNA) where: Base-Base interactions energy: -1119.403 where: short stacking energy: -482.822 Base-Backbone interact. energy: -3.403 local terms energy: -467.184161 where: bonds (distance) C4'-P energy: -92.646 bonds (distance) P-C4' energy: -93.179 flat angles C4'-P-C4' energy: -92.592 flat angles P-C4'-P energy: -60.751 tors. eta vs tors. theta energy: -128.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1512.582997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.582997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.582997 (E_RNA) where: Base-Base interactions energy: -1052.976 where: short stacking energy: -449.862 Base-Backbone interact. energy: -2.344 local terms energy: -457.263639 where: bonds (distance) C4'-P energy: -69.188 bonds (distance) P-C4' energy: -99.338 flat angles C4'-P-C4' energy: -100.028 flat angles P-C4'-P energy: -71.369 tors. eta vs tors. theta energy: -117.341 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: 2 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -1451.831427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.831427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.831427 (E_RNA) where: Base-Base interactions energy: -986.492 where: short stacking energy: -433.118 Base-Backbone interact. energy: 0.506 local terms energy: -465.844800 where: bonds (distance) C4'-P energy: -82.612 bonds (distance) P-C4' energy: -83.796 flat angles C4'-P-C4' energy: -103.916 flat angles P-C4'-P energy: -67.137 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: 6, replica: 3 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1342.066343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.066343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.066343 (E_RNA) where: Base-Base interactions energy: -910.610 where: short stacking energy: -388.678 Base-Backbone interact. energy: -1.846 local terms energy: -429.610816 where: bonds (distance) C4'-P energy: -79.671 bonds (distance) P-C4' energy: -88.991 flat angles C4'-P-C4' energy: -107.334 flat angles P-C4'-P energy: -40.071 tors. eta vs tors. theta energy: -113.544 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: 5 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1008.791522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.791522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.791522 (E_RNA) where: Base-Base interactions energy: -635.459 where: short stacking energy: -278.534 Base-Backbone interact. energy: -0.899 local terms energy: -372.433553 where: bonds (distance) C4'-P energy: -89.609 bonds (distance) P-C4' energy: -75.627 flat angles C4'-P-C4' energy: -86.781 flat angles P-C4'-P energy: -55.720 tors. eta vs tors. theta energy: -64.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -903.426394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.426394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.426394 (E_RNA) where: Base-Base interactions energy: -567.920 where: short stacking energy: -251.342 Base-Backbone interact. energy: -2.618 local terms energy: -332.887878 where: bonds (distance) C4'-P energy: -66.499 bonds (distance) P-C4' energy: -90.526 flat angles C4'-P-C4' energy: -77.807 flat angles P-C4'-P energy: -52.925 tors. eta vs tors. theta energy: -45.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -604.900346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.900346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.900346 (E_RNA) where: Base-Base interactions energy: -314.342 where: short stacking energy: -171.511 Base-Backbone interact. energy: -3.896 local terms energy: -286.661955 where: bonds (distance) C4'-P energy: -70.911 bonds (distance) P-C4' energy: -88.910 flat angles C4'-P-C4' energy: -65.565 flat angles P-C4'-P energy: -56.094 tors. eta vs tors. theta energy: -5.182 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: 1 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -641.583788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.583788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.583788 (E_RNA) where: Base-Base interactions energy: -358.805 where: short stacking energy: -172.551 Base-Backbone interact. energy: 0.873 local terms energy: -283.651334 where: bonds (distance) C4'-P energy: -60.335 bonds (distance) P-C4' energy: -67.698 flat angles C4'-P-C4' energy: -83.489 flat angles P-C4'-P energy: -52.282 tors. eta vs tors. theta energy: -19.848 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: 6 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1775.615671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.615671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.615671 (E_RNA) where: Base-Base interactions energy: -1209.499 where: short stacking energy: -553.894 Base-Backbone interact. energy: -1.096 local terms energy: -565.019839 where: bonds (distance) C4'-P energy: -99.558 bonds (distance) P-C4' energy: -99.872 flat angles C4'-P-C4' energy: -110.578 flat angles P-C4'-P energy: -85.499 tors. eta vs tors. theta energy: -169.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1686.205953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.205953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.205953 (E_RNA) where: Base-Base interactions energy: -1189.021 where: short stacking energy: -497.941 Base-Backbone interact. energy: -0.754 local terms energy: -496.431204 where: bonds (distance) C4'-P energy: -79.787 bonds (distance) P-C4' energy: -92.305 flat angles C4'-P-C4' energy: -106.354 flat angles P-C4'-P energy: -74.601 tors. eta vs tors. theta energy: -143.384 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: 10 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1596.602117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.602117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.602117 (E_RNA) where: Base-Base interactions energy: -1088.919 where: short stacking energy: -467.582 Base-Backbone interact. energy: -1.999 local terms energy: -505.683720 where: bonds (distance) C4'-P energy: -91.627 bonds (distance) P-C4' energy: -96.793 flat angles C4'-P-C4' energy: -106.099 flat angles P-C4'-P energy: -70.308 tors. eta vs tors. theta energy: -140.857 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: 4, replica: 4 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1499.151864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.151864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.151864 (E_RNA) where: Base-Base interactions energy: -1038.767 where: short stacking energy: -453.859 Base-Backbone interact. energy: -2.168 local terms energy: -458.216554 where: bonds (distance) C4'-P energy: -82.639 bonds (distance) P-C4' energy: -83.891 flat angles C4'-P-C4' energy: -94.883 flat angles P-C4'-P energy: -68.362 tors. eta vs tors. theta energy: -128.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1419.148180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.148180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.148180 (E_RNA) where: Base-Base interactions energy: -975.760 where: short stacking energy: -436.838 Base-Backbone interact. energy: 0.469 local terms energy: -443.857727 where: bonds (distance) C4'-P energy: -78.352 bonds (distance) P-C4' energy: -71.095 flat angles C4'-P-C4' energy: -98.715 flat angles P-C4'-P energy: -66.447 tors. eta vs tors. theta energy: -129.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1315.431371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.431371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.431371 (E_RNA) where: Base-Base interactions energy: -875.939 where: short stacking energy: -388.429 Base-Backbone interact. energy: 0.159 local terms energy: -439.651356 where: bonds (distance) C4'-P energy: -97.816 bonds (distance) P-C4' energy: -85.373 flat angles C4'-P-C4' energy: -84.594 flat angles P-C4'-P energy: -58.744 tors. eta vs tors. theta energy: -113.123 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: 5 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1018.724181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.724181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.724181 (E_RNA) where: Base-Base interactions energy: -634.108 where: short stacking energy: -301.193 Base-Backbone interact. energy: 0.332 local terms energy: -384.947938 where: bonds (distance) C4'-P energy: -86.985 bonds (distance) P-C4' energy: -98.548 flat angles C4'-P-C4' energy: -82.903 flat angles P-C4'-P energy: -59.334 tors. eta vs tors. theta energy: -57.178 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: 7 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -916.871364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.871364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.871364 (E_RNA) where: Base-Base interactions energy: -596.184 where: short stacking energy: -253.217 Base-Backbone interact. energy: 0.166 local terms energy: -320.854001 where: bonds (distance) C4'-P energy: -66.588 bonds (distance) P-C4' energy: -88.303 flat angles C4'-P-C4' energy: -85.233 flat angles P-C4'-P energy: -37.767 tors. eta vs tors. theta energy: -42.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -644.472313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.472313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.472313 (E_RNA) where: Base-Base interactions energy: -360.560 where: short stacking energy: -183.000 Base-Backbone interact. energy: -2.279 local terms energy: -281.633264 where: bonds (distance) C4'-P energy: -61.932 bonds (distance) P-C4' energy: -80.043 flat angles C4'-P-C4' energy: -73.585 flat angles P-C4'-P energy: -44.926 tors. eta vs tors. theta energy: -21.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -535.490371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.490371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.490371 (E_RNA) where: Base-Base interactions energy: -270.998 where: short stacking energy: -161.117 Base-Backbone interact. energy: 0.097 local terms energy: -264.589361 where: bonds (distance) C4'-P energy: -65.475 bonds (distance) P-C4' energy: -66.921 flat angles C4'-P-C4' energy: -75.549 flat angles P-C4'-P energy: -46.904 tors. eta vs tors. theta energy: -9.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1740.051178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.051178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.051178 (E_RNA) where: Base-Base interactions energy: -1198.062 where: short stacking energy: -531.696 Base-Backbone interact. energy: 0.338 local terms energy: -542.327584 where: bonds (distance) C4'-P energy: -87.236 bonds (distance) P-C4' energy: -94.137 flat angles C4'-P-C4' energy: -115.139 flat angles P-C4'-P energy: -84.669 tors. eta vs tors. theta energy: -161.147 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: 191 Temperature: 0.950000 Total energy: -1680.154936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.154936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.154936 (E_RNA) where: Base-Base interactions energy: -1159.962 where: short stacking energy: -495.471 Base-Backbone interact. energy: -3.639 local terms energy: -516.554375 where: bonds (distance) C4'-P energy: -87.225 bonds (distance) P-C4' energy: -98.153 flat angles C4'-P-C4' energy: -115.112 flat angles P-C4'-P energy: -75.361 tors. eta vs tors. theta energy: -140.704 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: 10 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1582.827258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.827258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.827258 (E_RNA) where: Base-Base interactions energy: -1108.277 where: short stacking energy: -452.837 Base-Backbone interact. energy: -0.497 local terms energy: -474.052921 where: bonds (distance) C4'-P energy: -92.904 bonds (distance) P-C4' energy: -88.490 flat angles C4'-P-C4' energy: -97.796 flat angles P-C4'-P energy: -68.876 tors. eta vs tors. theta energy: -125.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1478.602649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.602649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.602649 (E_RNA) where: Base-Base interactions energy: -1017.686 where: short stacking energy: -416.318 Base-Backbone interact. energy: -0.737 local terms energy: -460.179452 where: bonds (distance) C4'-P energy: -88.311 bonds (distance) P-C4' energy: -92.021 flat angles C4'-P-C4' energy: -88.287 flat angles P-C4'-P energy: -66.271 tors. eta vs tors. theta energy: -125.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1425.084579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.084579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.084579 (E_RNA) where: Base-Base interactions energy: -941.349 where: short stacking energy: -431.294 Base-Backbone interact. energy: -0.392 local terms energy: -483.343397 where: bonds (distance) C4'-P energy: -81.468 bonds (distance) P-C4' energy: -91.097 flat angles C4'-P-C4' energy: -101.093 flat angles P-C4'-P energy: -68.563 tors. eta vs tors. theta energy: -141.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1309.823126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.823126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.823126 (E_RNA) where: Base-Base interactions energy: -862.281 where: short stacking energy: -377.968 Base-Backbone interact. energy: 2.619 local terms energy: -450.161136 where: bonds (distance) C4'-P energy: -99.176 bonds (distance) P-C4' energy: -82.227 flat angles C4'-P-C4' energy: -95.867 flat angles P-C4'-P energy: -57.366 tors. eta vs tors. theta energy: -115.526 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: 5 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1044.804642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.804642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.804642 (E_RNA) where: Base-Base interactions energy: -670.539 where: short stacking energy: -289.857 Base-Backbone interact. energy: 1.024 local terms energy: -375.289961 where: bonds (distance) C4'-P energy: -75.540 bonds (distance) P-C4' energy: -94.117 flat angles C4'-P-C4' energy: -85.232 flat angles P-C4'-P energy: -53.984 tors. eta vs tors. theta energy: -66.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -884.117331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.117331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.117331 (E_RNA) where: Base-Base interactions energy: -563.596 where: short stacking energy: -238.805 Base-Backbone interact. energy: 1.094 local terms energy: -321.614846 where: bonds (distance) C4'-P energy: -69.959 bonds (distance) P-C4' energy: -85.791 flat angles C4'-P-C4' energy: -79.133 flat angles P-C4'-P energy: -49.606 tors. eta vs tors. theta energy: -37.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -629.989858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.989858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.989858 (E_RNA) where: Base-Base interactions energy: -339.566 where: short stacking energy: -198.290 Base-Backbone interact. energy: -0.474 local terms energy: -289.950295 where: bonds (distance) C4'-P energy: -64.330 bonds (distance) P-C4' energy: -76.204 flat angles C4'-P-C4' energy: -82.278 flat angles P-C4'-P energy: -48.225 tors. eta vs tors. theta energy: -18.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -541.518114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.518114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.518114 (E_RNA) where: Base-Base interactions energy: -285.659 where: short stacking energy: -172.237 Base-Backbone interact. energy: 0.790 local terms energy: -256.649018 where: bonds (distance) C4'-P energy: -87.972 bonds (distance) P-C4' energy: -63.499 flat angles C4'-P-C4' energy: -59.065 flat angles P-C4'-P energy: -29.917 tors. eta vs tors. theta energy: -16.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1756.428147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.428147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.428147 (E_RNA) where: Base-Base interactions energy: -1203.477 where: short stacking energy: -551.027 Base-Backbone interact. energy: -1.503 local terms energy: -551.447889 where: bonds (distance) C4'-P energy: -83.244 bonds (distance) P-C4' energy: -100.392 flat angles C4'-P-C4' energy: -115.891 flat angles P-C4'-P energy: -83.214 tors. eta vs tors. theta energy: -168.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1670.238547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.238547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.238547 (E_RNA) where: Base-Base interactions energy: -1157.511 where: short stacking energy: -490.674 Base-Backbone interact. energy: -2.823 local terms energy: -509.903773 where: bonds (distance) C4'-P energy: -88.442 bonds (distance) P-C4' energy: -97.326 flat angles C4'-P-C4' energy: -109.373 flat angles P-C4'-P energy: -67.199 tors. eta vs tors. theta energy: -147.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1572.833411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.833411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.833411 (E_RNA) where: Base-Base interactions energy: -1095.535 where: short stacking energy: -437.167 Base-Backbone interact. energy: -3.440 local terms energy: -473.858541 where: bonds (distance) C4'-P energy: -83.291 bonds (distance) P-C4' energy: -96.540 flat angles C4'-P-C4' energy: -101.553 flat angles P-C4'-P energy: -67.618 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: 4, replica: 4 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1510.616692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.616692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.616692 (E_RNA) where: Base-Base interactions energy: -1055.152 where: short stacking energy: -436.032 Base-Backbone interact. energy: -3.355 local terms energy: -452.108983 where: bonds (distance) C4'-P energy: -95.667 bonds (distance) P-C4' energy: -65.962 flat angles C4'-P-C4' energy: -97.828 flat angles P-C4'-P energy: -67.293 tors. eta vs tors. theta energy: -125.360 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: 2 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -1416.779101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.779101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.779101 (E_RNA) where: Base-Base interactions energy: -947.592 where: short stacking energy: -431.221 Base-Backbone interact. energy: -0.700 local terms energy: -468.487203 where: bonds (distance) C4'-P energy: -81.810 bonds (distance) P-C4' energy: -92.780 flat angles C4'-P-C4' energy: -108.859 flat angles P-C4'-P energy: -59.333 tors. eta vs tors. theta energy: -125.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1237.520993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.520993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.520993 (E_RNA) where: Base-Base interactions energy: -809.517 where: short stacking energy: -377.955 Base-Backbone interact. energy: 2.735 local terms energy: -430.738965 where: bonds (distance) C4'-P energy: -79.777 bonds (distance) P-C4' energy: -84.687 flat angles C4'-P-C4' energy: -97.056 flat angles P-C4'-P energy: -69.702 tors. eta vs tors. theta energy: -99.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1118.754352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.754352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.754352 (E_RNA) where: Base-Base interactions energy: -729.428 where: short stacking energy: -319.995 Base-Backbone interact. energy: -2.456 local terms energy: -386.870129 where: bonds (distance) C4'-P energy: -86.166 bonds (distance) P-C4' energy: -85.812 flat angles C4'-P-C4' energy: -92.192 flat angles P-C4'-P energy: -51.193 tors. eta vs tors. theta energy: -71.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -915.858033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.858033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.858033 (E_RNA) where: Base-Base interactions energy: -585.443 where: short stacking energy: -268.390 Base-Backbone interact. energy: -1.307 local terms energy: -329.108364 where: bonds (distance) C4'-P energy: -82.591 bonds (distance) P-C4' energy: -80.689 flat angles C4'-P-C4' energy: -76.880 flat angles P-C4'-P energy: -43.058 tors. eta vs tors. theta energy: -45.890 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: 1 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -670.102050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.102050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.102050 (E_RNA) where: Base-Base interactions energy: -375.238 where: short stacking energy: -204.377 Base-Backbone interact. energy: 1.795 local terms energy: -296.659205 where: bonds (distance) C4'-P energy: -70.034 bonds (distance) P-C4' energy: -77.358 flat angles C4'-P-C4' energy: -83.896 flat angles P-C4'-P energy: -53.472 tors. eta vs tors. theta energy: -11.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -557.472504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.472504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.472504 (E_RNA) where: Base-Base interactions energy: -293.502 where: short stacking energy: -172.919 Base-Backbone interact. energy: -2.450 local terms energy: -261.519715 where: bonds (distance) C4'-P energy: -82.147 bonds (distance) P-C4' energy: -75.523 flat angles C4'-P-C4' energy: -63.122 flat angles P-C4'-P energy: -53.870 tors. eta vs tors. theta energy: 13.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1741.046727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.046727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.046727 (E_RNA) where: Base-Base interactions energy: -1187.721 where: short stacking energy: -533.596 Base-Backbone interact. energy: 0.430 local terms energy: -553.755345 where: bonds (distance) C4'-P energy: -96.926 bonds (distance) P-C4' energy: -102.586 flat angles C4'-P-C4' energy: -115.273 flat angles P-C4'-P energy: -74.297 tors. eta vs tors. theta energy: -164.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1700.106779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.106779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.106779 (E_RNA) where: Base-Base interactions energy: -1173.177 where: short stacking energy: -515.105 Base-Backbone interact. energy: -1.746 local terms energy: -525.184109 where: bonds (distance) C4'-P energy: -90.766 bonds (distance) P-C4' energy: -98.722 flat angles C4'-P-C4' energy: -115.944 flat angles P-C4'-P energy: -63.521 tors. eta vs tors. theta energy: -156.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1550.211430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.211430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.211430 (E_RNA) where: Base-Base interactions energy: -1077.381 where: short stacking energy: -452.917 Base-Backbone interact. energy: 1.155 local terms energy: -473.985291 where: bonds (distance) C4'-P energy: -75.907 bonds (distance) P-C4' energy: -79.980 flat angles C4'-P-C4' energy: -108.691 flat angles P-C4'-P energy: -75.990 tors. eta vs tors. theta energy: -133.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1506.338970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.338970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.338970 (E_RNA) where: Base-Base interactions energy: -1030.473 where: short stacking energy: -436.739 Base-Backbone interact. energy: -2.471 local terms energy: -473.395725 where: bonds (distance) C4'-P energy: -95.702 bonds (distance) P-C4' energy: -81.821 flat angles C4'-P-C4' energy: -107.581 flat angles P-C4'-P energy: -64.555 tors. eta vs tors. theta energy: -123.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1430.805759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.805759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.805759 (E_RNA) where: Base-Base interactions energy: -983.137 where: short stacking energy: -422.875 Base-Backbone interact. energy: 0.486 local terms energy: -448.154660 where: bonds (distance) C4'-P energy: -79.511 bonds (distance) P-C4' energy: -93.670 flat angles C4'-P-C4' energy: -94.178 flat angles P-C4'-P energy: -58.425 tors. eta vs tors. theta energy: -122.371 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: 3 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1250.588733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.588733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.588733 (E_RNA) where: Base-Base interactions energy: -819.652 where: short stacking energy: -351.838 Base-Backbone interact. energy: -0.067 local terms energy: -430.869261 where: bonds (distance) C4'-P energy: -78.850 bonds (distance) P-C4' energy: -78.161 flat angles C4'-P-C4' energy: -94.562 flat angles P-C4'-P energy: -71.353 tors. eta vs tors. theta energy: -107.943 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: 5 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1117.670124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.670124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.670124 (E_RNA) where: Base-Base interactions energy: -743.255 where: short stacking energy: -338.818 Base-Backbone interact. energy: 1.091 local terms energy: -375.506763 where: bonds (distance) C4'-P energy: -70.766 bonds (distance) P-C4' energy: -74.974 flat angles C4'-P-C4' energy: -100.610 flat angles P-C4'-P energy: -51.582 tors. eta vs tors. theta energy: -77.575 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: 7 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -904.175922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.175922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.175922 (E_RNA) where: Base-Base interactions energy: -582.189 where: short stacking energy: -259.299 Base-Backbone interact. energy: 0.246 local terms energy: -322.233396 where: bonds (distance) C4'-P energy: -72.854 bonds (distance) P-C4' energy: -88.354 flat angles C4'-P-C4' energy: -73.098 flat angles P-C4'-P energy: -45.388 tors. eta vs tors. theta energy: -42.539 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: 9, replica: 1 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -721.380717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.380717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.380717 (E_RNA) where: Base-Base interactions energy: -444.916 where: short stacking energy: -229.429 Base-Backbone interact. energy: 3.169 local terms energy: -279.634244 where: bonds (distance) C4'-P energy: -70.565 bonds (distance) P-C4' energy: -59.831 flat angles C4'-P-C4' energy: -77.967 flat angles P-C4'-P energy: -40.539 tors. eta vs tors. theta energy: -30.732 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: 9 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -533.252038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.252038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.252038 (E_RNA) where: Base-Base interactions energy: -253.997 where: short stacking energy: -146.189 Base-Backbone interact. energy: 3.304 local terms energy: -282.559055 where: bonds (distance) C4'-P energy: -94.946 bonds (distance) P-C4' energy: -71.395 flat angles C4'-P-C4' energy: -74.465 flat angles P-C4'-P energy: -46.191 tors. eta vs tors. theta energy: 4.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1749.524838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.524838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.524838 (E_RNA) where: Base-Base interactions energy: -1207.982 where: short stacking energy: -533.416 Base-Backbone interact. energy: -4.040 local terms energy: -537.502521 where: bonds (distance) C4'-P energy: -100.066 bonds (distance) P-C4' energy: -91.502 flat angles C4'-P-C4' energy: -115.256 flat angles P-C4'-P energy: -64.867 tors. eta vs tors. theta energy: -165.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1666.941036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.941036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.941036 (E_RNA) where: Base-Base interactions energy: -1155.444 where: short stacking energy: -500.398 Base-Backbone interact. energy: -0.198 local terms energy: -511.299119 where: bonds (distance) C4'-P energy: -94.564 bonds (distance) P-C4' energy: -91.587 flat angles C4'-P-C4' energy: -108.022 flat angles P-C4'-P energy: -64.283 tors. eta vs tors. theta energy: -152.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1542.593310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.593310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.593310 (E_RNA) where: Base-Base interactions energy: -1056.575 where: short stacking energy: -460.918 Base-Backbone interact. energy: -0.939 local terms energy: -485.079631 where: bonds (distance) C4'-P energy: -86.391 bonds (distance) P-C4' energy: -101.501 flat angles C4'-P-C4' energy: -111.017 flat angles P-C4'-P energy: -65.112 tors. eta vs tors. theta energy: -121.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1492.554905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.554905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.554905 (E_RNA) where: Base-Base interactions energy: -1017.406 where: short stacking energy: -425.071 Base-Backbone interact. energy: -5.247 local terms energy: -469.901642 where: bonds (distance) C4'-P energy: -91.303 bonds (distance) P-C4' energy: -85.306 flat angles C4'-P-C4' energy: -104.175 flat angles P-C4'-P energy: -68.008 tors. eta vs tors. theta energy: -121.109 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: 2 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1456.643680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.643680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.643680 (E_RNA) where: Base-Base interactions energy: -1005.810 where: short stacking energy: -433.484 Base-Backbone interact. energy: -2.120 local terms energy: -448.713524 where: bonds (distance) C4'-P energy: -78.565 bonds (distance) P-C4' energy: -88.151 flat angles C4'-P-C4' energy: -97.397 flat angles P-C4'-P energy: -61.198 tors. eta vs tors. theta energy: -123.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1223.622886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.622886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.622886 (E_RNA) where: Base-Base interactions energy: -815.518 where: short stacking energy: -364.981 Base-Backbone interact. energy: -0.610 local terms energy: -407.495295 where: bonds (distance) C4'-P energy: -90.907 bonds (distance) P-C4' energy: -75.182 flat angles C4'-P-C4' energy: -88.853 flat angles P-C4'-P energy: -53.094 tors. eta vs tors. theta energy: -99.460 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: 5 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1100.299723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.299723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.299723 (E_RNA) where: Base-Base interactions energy: -733.064 where: short stacking energy: -321.604 Base-Backbone interact. energy: 1.158 local terms energy: -368.393497 where: bonds (distance) C4'-P energy: -79.476 bonds (distance) P-C4' energy: -86.239 flat angles C4'-P-C4' energy: -81.294 flat angles P-C4'-P energy: -50.155 tors. eta vs tors. theta energy: -71.229 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: 7 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -902.336386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.336386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.336386 (E_RNA) where: Base-Base interactions energy: -540.040 where: short stacking energy: -264.943 Base-Backbone interact. energy: -1.306 local terms energy: -360.991046 where: bonds (distance) C4'-P energy: -84.909 bonds (distance) P-C4' energy: -73.538 flat angles C4'-P-C4' energy: -92.371 flat angles P-C4'-P energy: -56.396 tors. eta vs tors. theta energy: -53.777 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: 194 Temperature: 1.300000 Total energy: -713.683652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.683652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.683652 (E_RNA) where: Base-Base interactions energy: -407.203 where: short stacking energy: -199.135 Base-Backbone interact. energy: 1.157 local terms energy: -307.637549 where: bonds (distance) C4'-P energy: -88.334 bonds (distance) P-C4' energy: -87.199 flat angles C4'-P-C4' energy: -77.289 flat angles P-C4'-P energy: -38.849 tors. eta vs tors. theta energy: -15.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -545.417817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.417817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.417817 (E_RNA) where: Base-Base interactions energy: -292.870 where: short stacking energy: -171.359 Base-Backbone interact. energy: -3.848 local terms energy: -248.700704 where: bonds (distance) C4'-P energy: -72.503 bonds (distance) P-C4' energy: -79.178 flat angles C4'-P-C4' energy: -65.999 flat angles P-C4'-P energy: -37.853 tors. eta vs tors. theta energy: 6.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1766.309471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.309471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.309471 (E_RNA) where: Base-Base interactions energy: -1209.260 where: short stacking energy: -523.979 Base-Backbone interact. energy: -0.537 local terms energy: -556.512328 where: bonds (distance) C4'-P energy: -96.247 bonds (distance) P-C4' energy: -105.891 flat angles C4'-P-C4' energy: -113.169 flat angles P-C4'-P energy: -81.253 tors. eta vs tors. theta energy: -159.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1677.773444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.773444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.773444 (E_RNA) where: Base-Base interactions energy: -1141.570 where: short stacking energy: -507.428 Base-Backbone interact. energy: -2.010 local terms energy: -534.193512 where: bonds (distance) C4'-P energy: -101.300 bonds (distance) P-C4' energy: -83.303 flat angles C4'-P-C4' energy: -120.764 flat angles P-C4'-P energy: -78.542 tors. eta vs tors. theta energy: -150.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1559.598473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.598473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.598473 (E_RNA) where: Base-Base interactions energy: -1078.485 where: short stacking energy: -451.510 Base-Backbone interact. energy: -3.597 local terms energy: -477.516591 where: bonds (distance) C4'-P energy: -84.488 bonds (distance) P-C4' energy: -93.682 flat angles C4'-P-C4' energy: -105.930 flat angles P-C4'-P energy: -76.624 tors. eta vs tors. theta energy: -116.792 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: 4, replica: 4 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1521.374794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.374794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.374794 (E_RNA) where: Base-Base interactions energy: -1052.680 where: short stacking energy: -436.029 Base-Backbone interact. energy: -0.923 local terms energy: -467.771348 where: bonds (distance) C4'-P energy: -90.459 bonds (distance) P-C4' energy: -91.423 flat angles C4'-P-C4' energy: -103.670 flat angles P-C4'-P energy: -58.768 tors. eta vs tors. theta energy: -123.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1422.047762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.047762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.047762 (E_RNA) where: Base-Base interactions energy: -941.330 where: short stacking energy: -405.596 Base-Backbone interact. energy: -2.435 local terms energy: -478.282881 where: bonds (distance) C4'-P energy: -96.353 bonds (distance) P-C4' energy: -96.759 flat angles C4'-P-C4' energy: -100.547 flat angles P-C4'-P energy: -67.428 tors. eta vs tors. theta energy: -117.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1242.002293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.002293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.002293 (E_RNA) where: Base-Base interactions energy: -803.729 where: short stacking energy: -353.877 Base-Backbone interact. energy: -0.572 local terms energy: -437.701459 where: bonds (distance) C4'-P energy: -86.822 bonds (distance) P-C4' energy: -92.620 flat angles C4'-P-C4' energy: -88.383 flat angles P-C4'-P energy: -65.768 tors. eta vs tors. theta energy: -104.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1070.736377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.736377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.736377 (E_RNA) where: Base-Base interactions energy: -681.223 where: short stacking energy: -313.126 Base-Backbone interact. energy: -1.619 local terms energy: -387.893902 where: bonds (distance) C4'-P energy: -70.074 bonds (distance) P-C4' energy: -95.107 flat angles C4'-P-C4' energy: -105.552 flat angles P-C4'-P energy: -44.585 tors. eta vs tors. theta energy: -72.577 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: 7 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -889.510841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.510841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.510841 (E_RNA) where: Base-Base interactions energy: -557.220 where: short stacking energy: -254.560 Base-Backbone interact. energy: 2.531 local terms energy: -334.822156 where: bonds (distance) C4'-P energy: -66.618 bonds (distance) P-C4' energy: -88.488 flat angles C4'-P-C4' energy: -90.583 flat angles P-C4'-P energy: -47.013 tors. eta vs tors. theta energy: -42.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -766.385223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.385223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.385223 (E_RNA) where: Base-Base interactions energy: -449.962 where: short stacking energy: -224.794 Base-Backbone interact. energy: -2.123 local terms energy: -314.299662 where: bonds (distance) C4'-P energy: -74.805 bonds (distance) P-C4' energy: -66.612 flat angles C4'-P-C4' energy: -82.769 flat angles P-C4'-P energy: -62.214 tors. eta vs tors. theta energy: -27.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -539.350672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.350672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.350672 (E_RNA) where: Base-Base interactions energy: -257.884 where: short stacking energy: -142.591 Base-Backbone interact. energy: -2.856 local terms energy: -278.611010 where: bonds (distance) C4'-P energy: -86.381 bonds (distance) P-C4' energy: -88.282 flat angles C4'-P-C4' energy: -71.807 flat angles P-C4'-P energy: -35.107 tors. eta vs tors. theta energy: 2.966 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: 6 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1756.768767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.768767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.768767 (E_RNA) where: Base-Base interactions energy: -1216.840 where: short stacking energy: -521.751 Base-Backbone interact. energy: -3.005 local terms energy: -536.923807 where: bonds (distance) C4'-P energy: -100.813 bonds (distance) P-C4' energy: -96.358 flat angles C4'-P-C4' energy: -107.935 flat angles P-C4'-P energy: -71.938 tors. eta vs tors. theta energy: -159.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1651.217419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.217419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.217419 (E_RNA) where: Base-Base interactions energy: -1125.371 where: short stacking energy: -509.912 Base-Backbone interact. energy: 1.438 local terms energy: -527.284406 where: bonds (distance) C4'-P energy: -94.883 bonds (distance) P-C4' energy: -101.519 flat angles C4'-P-C4' energy: -116.417 flat angles P-C4'-P energy: -69.185 tors. eta vs tors. theta energy: -145.280 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: 10 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1586.803022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.803022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.803022 (E_RNA) where: Base-Base interactions energy: -1105.517 where: short stacking energy: -456.937 Base-Backbone interact. energy: -3.420 local terms energy: -477.865243 where: bonds (distance) C4'-P energy: -89.333 bonds (distance) P-C4' energy: -81.174 flat angles C4'-P-C4' energy: -111.417 flat angles P-C4'-P energy: -76.753 tors. eta vs tors. theta energy: -119.188 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: 4, replica: 4 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1528.273464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.273464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.273464 (E_RNA) where: Base-Base interactions energy: -1071.263 where: short stacking energy: -449.339 Base-Backbone interact. energy: -2.464 local terms energy: -454.546133 where: bonds (distance) C4'-P energy: -86.252 bonds (distance) P-C4' energy: -81.092 flat angles C4'-P-C4' energy: -99.268 flat angles P-C4'-P energy: -64.695 tors. eta vs tors. theta energy: -123.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1436.450058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.450058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.450058 (E_RNA) where: Base-Base interactions energy: -979.794 where: short stacking energy: -417.007 Base-Backbone interact. energy: -0.618 local terms energy: -456.037806 where: bonds (distance) C4'-P energy: -76.785 bonds (distance) P-C4' energy: -92.142 flat angles C4'-P-C4' energy: -97.125 flat angles P-C4'-P energy: -63.895 tors. eta vs tors. theta energy: -126.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1210.756581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.756581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.756581 (E_RNA) where: Base-Base interactions energy: -793.257 where: short stacking energy: -362.968 Base-Backbone interact. energy: -1.739 local terms energy: -415.760894 where: bonds (distance) C4'-P energy: -100.164 bonds (distance) P-C4' energy: -89.473 flat angles C4'-P-C4' energy: -84.143 flat angles P-C4'-P energy: -53.313 tors. eta vs tors. theta energy: -88.668 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: 5 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1122.757923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.757923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.757923 (E_RNA) where: Base-Base interactions energy: -696.670 where: short stacking energy: -312.732 Base-Backbone interact. energy: -1.387 local terms energy: -424.700791 where: bonds (distance) C4'-P energy: -99.341 bonds (distance) P-C4' energy: -99.386 flat angles C4'-P-C4' energy: -91.129 flat angles P-C4'-P energy: -63.166 tors. eta vs tors. theta energy: -71.678 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: 7 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -865.835848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.835848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.835848 (E_RNA) where: Base-Base interactions energy: -525.663 where: short stacking energy: -242.459 Base-Backbone interact. energy: 1.199 local terms energy: -341.371995 where: bonds (distance) C4'-P energy: -75.435 bonds (distance) P-C4' energy: -84.337 flat angles C4'-P-C4' energy: -87.062 flat angles P-C4'-P energy: -43.592 tors. eta vs tors. theta energy: -50.946 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: 1 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -688.924184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.924184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.924184 (E_RNA) where: Base-Base interactions energy: -407.424 where: short stacking energy: -180.824 Base-Backbone interact. energy: -2.297 local terms energy: -279.203552 where: bonds (distance) C4'-P energy: -75.639 bonds (distance) P-C4' energy: -90.328 flat angles C4'-P-C4' energy: -60.993 flat angles P-C4'-P energy: -51.524 tors. eta vs tors. theta energy: -0.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -561.093767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.093767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.093767 (E_RNA) where: Base-Base interactions energy: -291.076 where: short stacking energy: -164.452 Base-Backbone interact. energy: 1.268 local terms energy: -271.285647 where: bonds (distance) C4'-P energy: -75.754 bonds (distance) P-C4' energy: -91.533 flat angles C4'-P-C4' energy: -68.758 flat angles P-C4'-P energy: -31.877 tors. eta vs tors. theta energy: -3.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1771.012027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.012027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.012027 (E_RNA) where: Base-Base interactions energy: -1208.254 where: short stacking energy: -541.321 Base-Backbone interact. energy: -1.027 local terms energy: -561.731890 where: bonds (distance) C4'-P energy: -104.561 bonds (distance) P-C4' energy: -89.380 flat angles C4'-P-C4' energy: -115.709 flat angles P-C4'-P energy: -85.881 tors. eta vs tors. theta energy: -166.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1658.755986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.755986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.755986 (E_RNA) where: Base-Base interactions energy: -1140.780 where: short stacking energy: -504.492 Base-Backbone interact. energy: -0.447 local terms energy: -517.528069 where: bonds (distance) C4'-P energy: -95.598 bonds (distance) P-C4' energy: -84.911 flat angles C4'-P-C4' energy: -106.889 flat angles P-C4'-P energy: -85.924 tors. eta vs tors. theta energy: -144.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1579.997224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.997224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.997224 (E_RNA) where: Base-Base interactions energy: -1097.683 where: short stacking energy: -470.540 Base-Backbone interact. energy: -2.578 local terms energy: -479.737074 where: bonds (distance) C4'-P energy: -92.211 bonds (distance) P-C4' energy: -82.850 flat angles C4'-P-C4' energy: -92.557 flat angles P-C4'-P energy: -74.128 tors. eta vs tors. theta energy: -137.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1552.119936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.119936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.119936 (E_RNA) where: Base-Base interactions energy: -1066.870 where: short stacking energy: -442.981 Base-Backbone interact. energy: -3.389 local terms energy: -481.860714 where: bonds (distance) C4'-P energy: -82.889 bonds (distance) P-C4' energy: -95.143 flat angles C4'-P-C4' energy: -104.353 flat angles P-C4'-P energy: -71.302 tors. eta vs tors. theta energy: -128.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1475.395513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.395513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.395513 (E_RNA) where: Base-Base interactions energy: -1025.762 where: short stacking energy: -446.032 Base-Backbone interact. energy: 0.370 local terms energy: -450.003555 where: bonds (distance) C4'-P energy: -90.869 bonds (distance) P-C4' energy: -88.325 flat angles C4'-P-C4' energy: -95.959 flat angles P-C4'-P energy: -45.803 tors. eta vs tors. theta energy: -129.048 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: 5 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1212.392897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.392897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.392897 (E_RNA) where: Base-Base interactions energy: -793.584 where: short stacking energy: -367.951 Base-Backbone interact. energy: -2.453 local terms energy: -416.356062 where: bonds (distance) C4'-P energy: -87.127 bonds (distance) P-C4' energy: -99.160 flat angles C4'-P-C4' energy: -89.669 flat angles P-C4'-P energy: -51.806 tors. eta vs tors. theta energy: -88.594 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: 3 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1154.206191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.206191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.206191 (E_RNA) where: Base-Base interactions energy: -787.589 where: short stacking energy: -310.194 Base-Backbone interact. energy: -0.222 local terms energy: -366.395199 where: bonds (distance) C4'-P energy: -70.220 bonds (distance) P-C4' energy: -90.110 flat angles C4'-P-C4' energy: -88.875 flat angles P-C4'-P energy: -33.982 tors. eta vs tors. theta energy: -83.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -886.491237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.491237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.491237 (E_RNA) where: Base-Base interactions energy: -527.104 where: short stacking energy: -225.224 Base-Backbone interact. energy: -1.041 local terms energy: -358.346144 where: bonds (distance) C4'-P energy: -89.857 bonds (distance) P-C4' energy: -79.414 flat angles C4'-P-C4' energy: -94.690 flat angles P-C4'-P energy: -57.084 tors. eta vs tors. theta energy: -37.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -714.483856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.483856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.483856 (E_RNA) where: Base-Base interactions energy: -393.128 where: short stacking energy: -172.931 Base-Backbone interact. energy: -0.600 local terms energy: -320.755352 where: bonds (distance) C4'-P energy: -89.696 bonds (distance) P-C4' energy: -79.483 flat angles C4'-P-C4' energy: -79.916 flat angles P-C4'-P energy: -53.013 tors. eta vs tors. theta energy: -18.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -548.054207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.054207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.054207 (E_RNA) where: Base-Base interactions energy: -263.055 where: short stacking energy: -162.001 Base-Backbone interact. energy: 0.514 local terms energy: -285.514149 where: bonds (distance) C4'-P energy: -92.289 bonds (distance) P-C4' energy: -83.471 flat angles C4'-P-C4' energy: -72.736 flat angles P-C4'-P energy: -39.661 tors. eta vs tors. theta energy: 2.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1749.188270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.188270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.188270 (E_RNA) where: Base-Base interactions energy: -1203.442 where: short stacking energy: -542.232 Base-Backbone interact. energy: 0.068 local terms energy: -545.814205 where: bonds (distance) C4'-P energy: -95.148 bonds (distance) P-C4' energy: -97.619 flat angles C4'-P-C4' energy: -110.484 flat angles P-C4'-P energy: -82.736 tors. eta vs tors. theta energy: -159.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1652.517164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.517164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.517164 (E_RNA) where: Base-Base interactions energy: -1126.563 where: short stacking energy: -487.721 Base-Backbone interact. energy: -2.122 local terms energy: -523.831599 where: bonds (distance) C4'-P energy: -102.215 bonds (distance) P-C4' energy: -105.309 flat angles C4'-P-C4' energy: -106.853 flat angles P-C4'-P energy: -74.364 tors. eta vs tors. theta energy: -135.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1550.284919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.284919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.284919 (E_RNA) where: Base-Base interactions energy: -1065.824 where: short stacking energy: -468.143 Base-Backbone interact. energy: -3.069 local terms energy: -481.391925 where: bonds (distance) C4'-P energy: -102.751 bonds (distance) P-C4' energy: -81.761 flat angles C4'-P-C4' energy: -96.194 flat angles P-C4'-P energy: -64.501 tors. eta vs tors. theta energy: -136.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1523.542872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.542872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.542872 (E_RNA) where: Base-Base interactions energy: -1046.143 where: short stacking energy: -439.519 Base-Backbone interact. energy: -2.583 local terms energy: -474.816249 where: bonds (distance) C4'-P energy: -75.543 bonds (distance) P-C4' energy: -100.251 flat angles C4'-P-C4' energy: -103.954 flat angles P-C4'-P energy: -73.695 tors. eta vs tors. theta energy: -121.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1429.019550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.019550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.019550 (E_RNA) where: Base-Base interactions energy: -978.319 where: short stacking energy: -437.360 Base-Backbone interact. energy: -1.193 local terms energy: -449.508286 where: bonds (distance) C4'-P energy: -77.100 bonds (distance) P-C4' energy: -93.788 flat angles C4'-P-C4' energy: -95.731 flat angles P-C4'-P energy: -53.657 tors. eta vs tors. theta energy: -129.232 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: 198 Temperature: 1.150000 Total energy: -1146.134268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.134268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.134268 (E_RNA) where: Base-Base interactions energy: -760.021 where: short stacking energy: -343.439 Base-Backbone interact. energy: -1.246 local terms energy: -384.867919 where: bonds (distance) C4'-P energy: -76.951 bonds (distance) P-C4' energy: -92.769 flat angles C4'-P-C4' energy: -90.289 flat angles P-C4'-P energy: -47.726 tors. eta vs tors. theta energy: -77.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1208.296693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.296693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.296693 (E_RNA) where: Base-Base interactions energy: -820.429 where: short stacking energy: -354.247 Base-Backbone interact. energy: -0.602 local terms energy: -387.265521 where: bonds (distance) C4'-P energy: -74.010 bonds (distance) P-C4' energy: -88.729 flat angles C4'-P-C4' energy: -80.994 flat angles P-C4'-P energy: -44.345 tors. eta vs tors. theta energy: -99.187 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: 7 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -897.574822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.574822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.574822 (E_RNA) where: Base-Base interactions energy: -551.602 where: short stacking energy: -245.858 Base-Backbone interact. energy: 2.132 local terms energy: -348.104681 where: bonds (distance) C4'-P energy: -68.369 bonds (distance) P-C4' energy: -98.290 flat angles C4'-P-C4' energy: -96.337 flat angles P-C4'-P energy: -34.881 tors. eta vs tors. theta energy: -50.228 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: 9, replica: 1 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -715.900987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.900987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.900987 (E_RNA) where: Base-Base interactions energy: -431.579 where: short stacking energy: -222.103 Base-Backbone interact. energy: -0.918 local terms energy: -283.404169 where: bonds (distance) C4'-P energy: -60.954 bonds (distance) P-C4' energy: -83.106 flat angles C4'-P-C4' energy: -69.901 flat angles P-C4'-P energy: -35.579 tors. eta vs tors. theta energy: -33.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -583.760425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.760425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.760425 (E_RNA) where: Base-Base interactions energy: -325.633 where: short stacking energy: -179.403 Base-Backbone interact. energy: 1.103 local terms energy: -259.229951 where: bonds (distance) C4'-P energy: -82.595 bonds (distance) P-C4' energy: -79.486 flat angles C4'-P-C4' energy: -59.711 flat angles P-C4'-P energy: -33.957 tors. eta vs tors. theta energy: -3.480 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: 1, replica: 6 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1747.990319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.990319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.990319 (E_RNA) where: Base-Base interactions energy: -1223.410 where: short stacking energy: -550.859 Base-Backbone interact. energy: -0.217 local terms energy: -524.363760 where: bonds (distance) C4'-P energy: -91.552 bonds (distance) P-C4' energy: -91.402 flat angles C4'-P-C4' energy: -111.327 flat angles P-C4'-P energy: -71.933 tors. eta vs tors. theta energy: -158.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1650.101871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.101871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.101871 (E_RNA) where: Base-Base interactions energy: -1135.070 where: short stacking energy: -496.787 Base-Backbone interact. energy: -1.471 local terms energy: -513.561712 where: bonds (distance) C4'-P energy: -91.587 bonds (distance) P-C4' energy: -88.265 flat angles C4'-P-C4' energy: -116.969 flat angles P-C4'-P energy: -75.882 tors. eta vs tors. theta energy: -140.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1583.698732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.698732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.698732 (E_RNA) where: Base-Base interactions energy: -1109.834 where: short stacking energy: -470.010 Base-Backbone interact. energy: -2.591 local terms energy: -471.274087 where: bonds (distance) C4'-P energy: -81.545 bonds (distance) P-C4' energy: -88.796 flat angles C4'-P-C4' energy: -99.529 flat angles P-C4'-P energy: -62.195 tors. eta vs tors. theta energy: -139.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1528.396851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.396851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.396851 (E_RNA) where: Base-Base interactions energy: -1046.609 where: short stacking energy: -419.939 Base-Backbone interact. energy: -1.776 local terms energy: -480.012339 where: bonds (distance) C4'-P energy: -97.149 bonds (distance) P-C4' energy: -92.108 flat angles C4'-P-C4' energy: -96.833 flat angles P-C4'-P energy: -70.432 tors. eta vs tors. theta energy: -123.491 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: 2 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1438.737653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.737653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.737653 (E_RNA) where: Base-Base interactions energy: -959.809 where: short stacking energy: -441.263 Base-Backbone interact. energy: -2.235 local terms energy: -476.693352 where: bonds (distance) C4'-P energy: -82.671 bonds (distance) P-C4' energy: -102.834 flat angles C4'-P-C4' energy: -104.166 flat angles P-C4'-P energy: -63.550 tors. eta vs tors. theta energy: -123.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1151.316987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.316987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.316987 (E_RNA) where: Base-Base interactions energy: -767.178 where: short stacking energy: -323.062 Base-Backbone interact. energy: -3.909 local terms energy: -380.229525 where: bonds (distance) C4'-P energy: -71.714 bonds (distance) P-C4' energy: -88.408 flat angles C4'-P-C4' energy: -87.350 flat angles P-C4'-P energy: -71.280 tors. eta vs tors. theta energy: -61.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1142.195231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.195231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.195231 (E_RNA) where: Base-Base interactions energy: -747.937 where: short stacking energy: -377.719 Base-Backbone interact. energy: -1.440 local terms energy: -392.818119 where: bonds (distance) C4'-P energy: -74.680 bonds (distance) P-C4' energy: -79.657 flat angles C4'-P-C4' energy: -85.742 flat angles P-C4'-P energy: -48.624 tors. eta vs tors. theta energy: -104.115 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: 8, replica: 7 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -945.911357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.911357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.911357 (E_RNA) where: Base-Base interactions energy: -579.524 where: short stacking energy: -270.714 Base-Backbone interact. energy: -2.331 local terms energy: -364.056642 where: bonds (distance) C4'-P energy: -87.743 bonds (distance) P-C4' energy: -89.962 flat angles C4'-P-C4' energy: -81.574 flat angles P-C4'-P energy: -54.517 tors. eta vs tors. theta energy: -50.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -734.164472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.164472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.164472 (E_RNA) where: Base-Base interactions energy: -438.783 where: short stacking energy: -237.532 Base-Backbone interact. energy: 1.858 local terms energy: -297.240074 where: bonds (distance) C4'-P energy: -76.660 bonds (distance) P-C4' energy: -75.256 flat angles C4'-P-C4' energy: -69.770 flat angles P-C4'-P energy: -52.294 tors. eta vs tors. theta energy: -23.260 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: 10, replica: 9 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -555.890507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.890507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.890507 (E_RNA) where: Base-Base interactions energy: -289.397 where: short stacking energy: -163.726 Base-Backbone interact. energy: 5.013 local terms energy: -271.506001 where: bonds (distance) C4'-P energy: -72.694 bonds (distance) P-C4' energy: -84.636 flat angles C4'-P-C4' energy: -69.193 flat angles P-C4'-P energy: -44.432 tors. eta vs tors. theta energy: -0.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1703.161718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.161718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.161718 (E_RNA) where: Base-Base interactions energy: -1182.531 where: short stacking energy: -520.536 Base-Backbone interact. energy: -2.861 local terms energy: -517.770044 where: bonds (distance) C4'-P energy: -89.676 bonds (distance) P-C4' energy: -100.037 flat angles C4'-P-C4' energy: -105.607 flat angles P-C4'-P energy: -75.336 tors. eta vs tors. theta energy: -147.114 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: 6 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1706.751487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.751487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.751487 (E_RNA) where: Base-Base interactions energy: -1176.210 where: short stacking energy: -515.829 Base-Backbone interact. energy: 2.620 local terms energy: -533.161844 where: bonds (distance) C4'-P energy: -97.270 bonds (distance) P-C4' energy: -89.954 flat angles C4'-P-C4' energy: -110.976 flat angles P-C4'-P energy: -79.718 tors. eta vs tors. theta energy: -155.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1604.921686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.921686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.921686 (E_RNA) where: Base-Base interactions energy: -1116.468 where: short stacking energy: -454.109 Base-Backbone interact. energy: -0.759 local terms energy: -487.694725 where: bonds (distance) C4'-P energy: -94.659 bonds (distance) P-C4' energy: -100.712 flat angles C4'-P-C4' energy: -103.170 flat angles P-C4'-P energy: -66.797 tors. eta vs tors. theta energy: -122.357 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: 4 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1507.081421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.081421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.081421 (E_RNA) where: Base-Base interactions energy: -1050.734 where: short stacking energy: -440.265 Base-Backbone interact. energy: -1.310 local terms energy: -455.037325 where: bonds (distance) C4'-P energy: -88.957 bonds (distance) P-C4' energy: -81.583 flat angles C4'-P-C4' energy: -92.218 flat angles P-C4'-P energy: -69.158 tors. eta vs tors. theta energy: -123.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1511.278191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.278191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.278191 (E_RNA) where: Base-Base interactions energy: -1033.153 where: short stacking energy: -470.222 Base-Backbone interact. energy: -1.482 local terms energy: -476.642610 where: bonds (distance) C4'-P energy: -82.066 bonds (distance) P-C4' energy: -97.829 flat angles C4'-P-C4' energy: -94.902 flat angles P-C4'-P energy: -61.233 tors. eta vs tors. theta energy: -140.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1131.326877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.326877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.326877 (E_RNA) where: Base-Base interactions energy: -745.123 where: short stacking energy: -338.884 Base-Backbone interact. energy: -0.985 local terms energy: -385.218873 where: bonds (distance) C4'-P energy: -81.659 bonds (distance) P-C4' energy: -88.269 flat angles C4'-P-C4' energy: -92.407 flat angles P-C4'-P energy: -47.699 tors. eta vs tors. theta energy: -75.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1059.183182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.183182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.183182 (E_RNA) where: Base-Base interactions energy: -688.667 where: short stacking energy: -330.158 Base-Backbone interact. energy: -2.183 local terms energy: -368.333234 where: bonds (distance) C4'-P energy: -73.810 bonds (distance) P-C4' energy: -83.026 flat angles C4'-P-C4' energy: -83.993 flat angles P-C4'-P energy: -51.717 tors. eta vs tors. theta energy: -75.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -922.307385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.307385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.307385 (E_RNA) where: Base-Base interactions energy: -579.666 where: short stacking energy: -282.603 Base-Backbone interact. energy: -1.461 local terms energy: -341.181028 where: bonds (distance) C4'-P energy: -80.969 bonds (distance) P-C4' energy: -83.021 flat angles C4'-P-C4' energy: -66.112 flat angles P-C4'-P energy: -51.503 tors. eta vs tors. theta energy: -59.576 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: 1 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -733.100772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.100772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.100772 (E_RNA) where: Base-Base interactions energy: -407.650 where: short stacking energy: -203.193 Base-Backbone interact. energy: 0.369 local terms energy: -325.819421 where: bonds (distance) C4'-P energy: -88.875 bonds (distance) P-C4' energy: -69.198 flat angles C4'-P-C4' energy: -73.006 flat angles P-C4'-P energy: -60.617 tors. eta vs tors. theta energy: -34.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -542.563487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.563487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.563487 (E_RNA) where: Base-Base interactions energy: -251.434 where: short stacking energy: -146.008 Base-Backbone interact. energy: -0.289 local terms energy: -290.840908 where: bonds (distance) C4'-P energy: -84.681 bonds (distance) P-C4' energy: -78.106 flat angles C4'-P-C4' energy: -70.428 flat angles P-C4'-P energy: -54.557 tors. eta vs tors. theta energy: -3.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1689.980920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.980920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.980920 (E_RNA) where: Base-Base interactions energy: -1159.465 where: short stacking energy: -501.062 Base-Backbone interact. energy: -2.700 local terms energy: -527.816403 where: bonds (distance) C4'-P energy: -94.321 bonds (distance) P-C4' energy: -95.831 flat angles C4'-P-C4' energy: -109.559 flat angles P-C4'-P energy: -80.797 tors. eta vs tors. theta energy: -147.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1667.596084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.596084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.596084 (E_RNA) where: Base-Base interactions energy: -1119.327 where: short stacking energy: -519.869 Base-Backbone interact. energy: 0.654 local terms energy: -548.923818 where: bonds (distance) C4'-P energy: -97.605 bonds (distance) P-C4' energy: -112.518 flat angles C4'-P-C4' energy: -105.774 flat angles P-C4'-P energy: -77.803 tors. eta vs tors. theta energy: -155.224 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: 10 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1593.044181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.044181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.044181 (E_RNA) where: Base-Base interactions energy: -1077.394 where: short stacking energy: -464.480 Base-Backbone interact. energy: -2.358 local terms energy: -513.292113 where: bonds (distance) C4'-P energy: -109.469 bonds (distance) P-C4' energy: -87.500 flat angles C4'-P-C4' energy: -102.980 flat angles P-C4'-P energy: -83.450 tors. eta vs tors. theta energy: -129.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1508.651381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.651381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.651381 (E_RNA) where: Base-Base interactions energy: -1023.121 where: short stacking energy: -434.925 Base-Backbone interact. energy: -2.673 local terms energy: -482.857065 where: bonds (distance) C4'-P energy: -98.720 bonds (distance) P-C4' energy: -98.177 flat angles C4'-P-C4' energy: -91.003 flat angles P-C4'-P energy: -60.518 tors. eta vs tors. theta energy: -134.439 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: 201 Temperature: 1.100000 Total energy: -1457.743664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.743664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.743664 (E_RNA) where: Base-Base interactions energy: -1010.209 where: short stacking energy: -430.106 Base-Backbone interact. energy: 0.026 local terms energy: -447.560889 where: bonds (distance) C4'-P energy: -77.303 bonds (distance) P-C4' energy: -87.887 flat angles C4'-P-C4' energy: -109.963 flat angles P-C4'-P energy: -50.414 tors. eta vs tors. theta energy: -121.994 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: 5 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1142.104848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.104848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.104848 (E_RNA) where: Base-Base interactions energy: -741.901 where: short stacking energy: -334.133 Base-Backbone interact. energy: -0.969 local terms energy: -399.235175 where: bonds (distance) C4'-P energy: -65.758 bonds (distance) P-C4' energy: -95.031 flat angles C4'-P-C4' energy: -105.067 flat angles P-C4'-P energy: -53.129 tors. eta vs tors. theta energy: -80.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1043.219500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.219500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.219500 (E_RNA) where: Base-Base interactions energy: -675.961 where: short stacking energy: -319.304 Base-Backbone interact. energy: 3.276 local terms energy: -370.534623 where: bonds (distance) C4'-P energy: -82.638 bonds (distance) P-C4' energy: -80.020 flat angles C4'-P-C4' energy: -87.192 flat angles P-C4'-P energy: -52.305 tors. eta vs tors. theta energy: -68.379 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: 7 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -947.703225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.703225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.703225 (E_RNA) where: Base-Base interactions energy: -590.844 where: short stacking energy: -295.723 Base-Backbone interact. energy: -1.361 local terms energy: -355.497838 where: bonds (distance) C4'-P energy: -83.473 bonds (distance) P-C4' energy: -82.031 flat angles C4'-P-C4' energy: -86.263 flat angles P-C4'-P energy: -48.036 tors. eta vs tors. theta energy: -55.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -705.816069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.816069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.816069 (E_RNA) where: Base-Base interactions energy: -421.698 where: short stacking energy: -204.154 Base-Backbone interact. energy: -0.060 local terms energy: -284.058260 where: bonds (distance) C4'-P energy: -70.870 bonds (distance) P-C4' energy: -73.649 flat angles C4'-P-C4' energy: -61.588 flat angles P-C4'-P energy: -51.469 tors. eta vs tors. theta energy: -26.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -528.800174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.800174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.800174 (E_RNA) where: Base-Base interactions energy: -253.562 where: short stacking energy: -135.860 Base-Backbone interact. energy: -1.222 local terms energy: -274.015947 where: bonds (distance) C4'-P energy: -62.400 bonds (distance) P-C4' energy: -87.215 flat angles C4'-P-C4' energy: -77.443 flat angles P-C4'-P energy: -43.899 tors. eta vs tors. theta energy: -3.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1685.891673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.891673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.891673 (E_RNA) where: Base-Base interactions energy: -1149.372 where: short stacking energy: -493.406 Base-Backbone interact. energy: -2.165 local terms energy: -534.354820 where: bonds (distance) C4'-P energy: -92.710 bonds (distance) P-C4' energy: -101.816 flat angles C4'-P-C4' energy: -116.301 flat angles P-C4'-P energy: -78.057 tors. eta vs tors. theta energy: -145.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1691.458985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.458985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.458985 (E_RNA) where: Base-Base interactions energy: -1142.305 where: short stacking energy: -514.590 Base-Backbone interact. energy: 0.674 local terms energy: -549.827956 where: bonds (distance) C4'-P energy: -90.640 bonds (distance) P-C4' energy: -104.833 flat angles C4'-P-C4' energy: -118.063 flat angles P-C4'-P energy: -74.322 tors. eta vs tors. theta energy: -161.970 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: 10 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1570.359325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.359325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.359325 (E_RNA) where: Base-Base interactions energy: -1080.430 where: short stacking energy: -452.994 Base-Backbone interact. energy: -1.100 local terms energy: -488.829269 where: bonds (distance) C4'-P energy: -98.309 bonds (distance) P-C4' energy: -95.827 flat angles C4'-P-C4' energy: -94.920 flat angles P-C4'-P energy: -71.886 tors. eta vs tors. theta energy: -127.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1538.117211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.117211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.117211 (E_RNA) where: Base-Base interactions energy: -1046.618 where: short stacking energy: -463.560 Base-Backbone interact. energy: -0.626 local terms energy: -490.873497 where: bonds (distance) C4'-P energy: -91.283 bonds (distance) P-C4' energy: -92.463 flat angles C4'-P-C4' energy: -98.725 flat angles P-C4'-P energy: -67.004 tors. eta vs tors. theta energy: -141.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1426.198764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.198764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.198764 (E_RNA) where: Base-Base interactions energy: -964.552 where: short stacking energy: -415.929 Base-Backbone interact. energy: -1.342 local terms energy: -460.304690 where: bonds (distance) C4'-P energy: -78.121 bonds (distance) P-C4' energy: -92.508 flat angles C4'-P-C4' energy: -101.618 flat angles P-C4'-P energy: -71.127 tors. eta vs tors. theta energy: -116.931 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: 6, replica: 5 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1152.000092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.000092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.000092 (E_RNA) where: Base-Base interactions energy: -745.608 where: short stacking energy: -334.420 Base-Backbone interact. energy: -2.361 local terms energy: -404.031160 where: bonds (distance) C4'-P energy: -85.373 bonds (distance) P-C4' energy: -98.563 flat angles C4'-P-C4' energy: -81.796 flat angles P-C4'-P energy: -60.853 tors. eta vs tors. theta energy: -77.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1082.150483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.150483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.150483 (E_RNA) where: Base-Base interactions energy: -723.401 where: short stacking energy: -313.791 Base-Backbone interact. energy: -1.166 local terms energy: -357.583522 where: bonds (distance) C4'-P energy: -69.533 bonds (distance) P-C4' energy: -71.436 flat angles C4'-P-C4' energy: -85.788 flat angles P-C4'-P energy: -55.837 tors. eta vs tors. theta energy: -74.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -966.244509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.244509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.244509 (E_RNA) where: Base-Base interactions energy: -587.879 where: short stacking energy: -282.818 Base-Backbone interact. energy: -2.742 local terms energy: -375.623788 where: bonds (distance) C4'-P energy: -69.355 bonds (distance) P-C4' energy: -83.748 flat angles C4'-P-C4' energy: -98.869 flat angles P-C4'-P energy: -57.561 tors. eta vs tors. theta energy: -66.090 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: 1 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -724.558389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.558389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.558389 (E_RNA) where: Base-Base interactions energy: -433.288 where: short stacking energy: -199.435 Base-Backbone interact. energy: -2.753 local terms energy: -288.517110 where: bonds (distance) C4'-P energy: -68.593 bonds (distance) P-C4' energy: -79.904 flat angles C4'-P-C4' energy: -72.318 flat angles P-C4'-P energy: -50.203 tors. eta vs tors. theta energy: -17.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -534.601102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.601102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.601102 (E_RNA) where: Base-Base interactions energy: -267.392 where: short stacking energy: -158.282 Base-Backbone interact. energy: -4.161 local terms energy: -263.048101 where: bonds (distance) C4'-P energy: -79.414 bonds (distance) P-C4' energy: -75.993 flat angles C4'-P-C4' energy: -60.135 flat angles P-C4'-P energy: -39.736 tors. eta vs tors. theta energy: -7.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1682.735213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.735213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.735213 (E_RNA) where: Base-Base interactions energy: -1166.444 where: short stacking energy: -505.882 Base-Backbone interact. energy: -3.179 local terms energy: -513.112124 where: bonds (distance) C4'-P energy: -96.353 bonds (distance) P-C4' energy: -95.937 flat angles C4'-P-C4' energy: -110.439 flat angles P-C4'-P energy: -76.521 tors. eta vs tors. theta energy: -133.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1664.318940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.318940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.318940 (E_RNA) where: Base-Base interactions energy: -1129.630 where: short stacking energy: -527.972 Base-Backbone interact. energy: -0.467 local terms energy: -534.221615 where: bonds (distance) C4'-P energy: -94.467 bonds (distance) P-C4' energy: -103.188 flat angles C4'-P-C4' energy: -104.487 flat angles P-C4'-P energy: -73.122 tors. eta vs tors. theta energy: -158.958 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: 3, replica: 10 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1585.760553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.760553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.760553 (E_RNA) where: Base-Base interactions energy: -1092.845 where: short stacking energy: -480.241 Base-Backbone interact. energy: -1.016 local terms energy: -491.899242 where: bonds (distance) C4'-P energy: -100.243 bonds (distance) P-C4' energy: -90.746 flat angles C4'-P-C4' energy: -95.018 flat angles P-C4'-P energy: -70.755 tors. eta vs tors. theta energy: -135.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1529.928137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.928137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.928137 (E_RNA) where: Base-Base interactions energy: -1052.967 where: short stacking energy: -457.976 Base-Backbone interact. energy: -0.146 local terms energy: -476.815170 where: bonds (distance) C4'-P energy: -81.724 bonds (distance) P-C4' energy: -96.645 flat angles C4'-P-C4' energy: -99.744 flat angles P-C4'-P energy: -65.903 tors. eta vs tors. theta energy: -132.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1430.892195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.892195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.892195 (E_RNA) where: Base-Base interactions energy: -971.694 where: short stacking energy: -419.615 Base-Backbone interact. energy: -4.964 local terms energy: -454.233552 where: bonds (distance) C4'-P energy: -80.721 bonds (distance) P-C4' energy: -92.474 flat angles C4'-P-C4' energy: -101.325 flat angles P-C4'-P energy: -62.627 tors. eta vs tors. theta energy: -117.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1119.037465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.037465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.037465 (E_RNA) where: Base-Base interactions energy: -716.923 where: short stacking energy: -314.688 Base-Backbone interact. energy: -1.104 local terms energy: -401.010897 where: bonds (distance) C4'-P energy: -89.247 bonds (distance) P-C4' energy: -82.021 flat angles C4'-P-C4' energy: -97.361 flat angles P-C4'-P energy: -54.661 tors. eta vs tors. theta energy: -77.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1138.319519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.319519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.319519 (E_RNA) where: Base-Base interactions energy: -748.797 where: short stacking energy: -328.379 Base-Backbone interact. energy: -0.028 local terms energy: -389.494764 where: bonds (distance) C4'-P energy: -91.145 bonds (distance) P-C4' energy: -78.556 flat angles C4'-P-C4' energy: -93.823 flat angles P-C4'-P energy: -48.717 tors. eta vs tors. theta energy: -77.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -991.294470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.294470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.294470 (E_RNA) where: Base-Base interactions energy: -642.387 where: short stacking energy: -303.095 Base-Backbone interact. energy: -0.897 local terms energy: -348.010816 where: bonds (distance) C4'-P energy: -71.904 bonds (distance) P-C4' energy: -74.256 flat angles C4'-P-C4' energy: -84.986 flat angles P-C4'-P energy: -57.418 tors. eta vs tors. theta energy: -59.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -773.301849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.301849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.301849 (E_RNA) where: Base-Base interactions energy: -440.241 where: short stacking energy: -207.872 Base-Backbone interact. energy: -1.090 local terms energy: -331.970552 where: bonds (distance) C4'-P energy: -93.706 bonds (distance) P-C4' energy: -80.542 flat angles C4'-P-C4' energy: -90.221 flat angles P-C4'-P energy: -38.218 tors. eta vs tors. theta energy: -29.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -590.413615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.413615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.413615 (E_RNA) where: Base-Base interactions energy: -306.177 where: short stacking energy: -161.990 Base-Backbone interact. energy: -0.556 local terms energy: -283.680278 where: bonds (distance) C4'-P energy: -47.318 bonds (distance) P-C4' energy: -73.502 flat angles C4'-P-C4' energy: -89.824 flat angles P-C4'-P energy: -51.547 tors. eta vs tors. theta energy: -21.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1712.101243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.101243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.101243 (E_RNA) where: Base-Base interactions energy: -1172.217 where: short stacking energy: -542.460 Base-Backbone interact. energy: -0.113 local terms energy: -539.771600 where: bonds (distance) C4'-P energy: -91.185 bonds (distance) P-C4' energy: -100.613 flat angles C4'-P-C4' energy: -111.946 flat angles P-C4'-P energy: -76.863 tors. eta vs tors. theta energy: -159.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1659.437153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.437153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.437153 (E_RNA) where: Base-Base interactions energy: -1133.747 where: short stacking energy: -488.477 Base-Backbone interact. energy: -3.485 local terms energy: -522.205196 where: bonds (distance) C4'-P energy: -104.637 bonds (distance) P-C4' energy: -94.980 flat angles C4'-P-C4' energy: -110.331 flat angles P-C4'-P energy: -73.454 tors. eta vs tors. theta energy: -138.804 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: 2 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1599.502075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.502075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.502075 (E_RNA) where: Base-Base interactions energy: -1072.497 where: short stacking energy: -469.336 Base-Backbone interact. energy: -0.579 local terms energy: -526.425843 where: bonds (distance) C4'-P energy: -93.272 bonds (distance) P-C4' energy: -102.390 flat angles C4'-P-C4' energy: -117.389 flat angles P-C4'-P energy: -68.942 tors. eta vs tors. theta energy: -144.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1564.600563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.600563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.600563 (E_RNA) where: Base-Base interactions energy: -1079.998 where: short stacking energy: -443.327 Base-Backbone interact. energy: -2.262 local terms energy: -482.340362 where: bonds (distance) C4'-P energy: -78.842 bonds (distance) P-C4' energy: -90.339 flat angles C4'-P-C4' energy: -107.280 flat angles P-C4'-P energy: -76.651 tors. eta vs tors. theta energy: -129.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1411.556720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.556720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.556720 (E_RNA) where: Base-Base interactions energy: -955.536 where: short stacking energy: -413.653 Base-Backbone interact. energy: 0.118 local terms energy: -456.138790 where: bonds (distance) C4'-P energy: -86.033 bonds (distance) P-C4' energy: -81.219 flat angles C4'-P-C4' energy: -102.602 flat angles P-C4'-P energy: -71.302 tors. eta vs tors. theta energy: -114.983 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: 5 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1161.142500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.142500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.142500 (E_RNA) where: Base-Base interactions energy: -774.213 where: short stacking energy: -368.760 Base-Backbone interact. energy: 0.340 local terms energy: -387.269221 where: bonds (distance) C4'-P energy: -89.131 bonds (distance) P-C4' energy: -68.326 flat angles C4'-P-C4' energy: -88.137 flat angles P-C4'-P energy: -58.967 tors. eta vs tors. theta energy: -82.708 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: 7 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1043.204094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.204094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.204094 (E_RNA) where: Base-Base interactions energy: -668.934 where: short stacking energy: -339.926 Base-Backbone interact. energy: -1.653 local terms energy: -372.616493 where: bonds (distance) C4'-P energy: -69.444 bonds (distance) P-C4' energy: -82.631 flat angles C4'-P-C4' energy: -82.428 flat angles P-C4'-P energy: -58.373 tors. eta vs tors. theta energy: -79.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1036.388797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.388797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.388797 (E_RNA) where: Base-Base interactions energy: -675.804 where: short stacking energy: -293.472 Base-Backbone interact. energy: 2.099 local terms energy: -362.683293 where: bonds (distance) C4'-P energy: -77.328 bonds (distance) P-C4' energy: -81.037 flat angles C4'-P-C4' energy: -88.446 flat angles P-C4'-P energy: -51.899 tors. eta vs tors. theta energy: -63.973 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: 1 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -760.136159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.136159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.136159 (E_RNA) where: Base-Base interactions energy: -477.593 where: short stacking energy: -225.826 Base-Backbone interact. energy: -3.821 local terms energy: -278.721661 where: bonds (distance) C4'-P energy: -76.896 bonds (distance) P-C4' energy: -78.927 flat angles C4'-P-C4' energy: -52.101 flat angles P-C4'-P energy: -41.437 tors. eta vs tors. theta energy: -29.360 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: 9 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -629.059284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.059284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.059284 (E_RNA) where: Base-Base interactions energy: -354.076 where: short stacking energy: -174.545 Base-Backbone interact. energy: 0.844 local terms energy: -275.826446 where: bonds (distance) C4'-P energy: -78.822 bonds (distance) P-C4' energy: -93.987 flat angles C4'-P-C4' energy: -63.584 flat angles P-C4'-P energy: -34.678 tors. eta vs tors. theta energy: -4.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1704.342643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.342643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.342643 (E_RNA) where: Base-Base interactions energy: -1150.356 where: short stacking energy: -507.766 Base-Backbone interact. energy: -0.474 local terms energy: -553.513353 where: bonds (distance) C4'-P energy: -98.188 bonds (distance) P-C4' energy: -100.161 flat angles C4'-P-C4' energy: -117.051 flat angles P-C4'-P energy: -75.944 tors. eta vs tors. theta energy: -162.169 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: 8 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1677.223346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.223346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.223346 (E_RNA) where: Base-Base interactions energy: -1170.783 where: short stacking energy: -505.262 Base-Backbone interact. energy: -3.461 local terms energy: -502.979735 where: bonds (distance) C4'-P energy: -91.408 bonds (distance) P-C4' energy: -95.257 flat angles C4'-P-C4' energy: -104.932 flat angles P-C4'-P energy: -61.957 tors. eta vs tors. theta energy: -149.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1594.196282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.196282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.196282 (E_RNA) where: Base-Base interactions energy: -1076.713 where: short stacking energy: -475.873 Base-Backbone interact. energy: -3.832 local terms energy: -513.651439 where: bonds (distance) C4'-P energy: -91.864 bonds (distance) P-C4' energy: -94.909 flat angles C4'-P-C4' energy: -98.248 flat angles P-C4'-P energy: -80.078 tors. eta vs tors. theta energy: -148.552 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: 10 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1550.479931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.479931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.479931 (E_RNA) where: Base-Base interactions energy: -1084.697 where: short stacking energy: -443.617 Base-Backbone interact. energy: -4.205 local terms energy: -461.578229 where: bonds (distance) C4'-P energy: -88.132 bonds (distance) P-C4' energy: -82.239 flat angles C4'-P-C4' energy: -104.523 flat angles P-C4'-P energy: -57.531 tors. eta vs tors. theta energy: -129.153 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: 5, replica: 4 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1419.148858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.148858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.148858 (E_RNA) where: Base-Base interactions energy: -962.891 where: short stacking energy: -412.121 Base-Backbone interact. energy: -2.192 local terms energy: -454.065195 where: bonds (distance) C4'-P energy: -96.111 bonds (distance) P-C4' energy: -80.324 flat angles C4'-P-C4' energy: -92.678 flat angles P-C4'-P energy: -75.849 tors. eta vs tors. theta energy: -109.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1148.083269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.083269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.083269 (E_RNA) where: Base-Base interactions energy: -782.455 where: short stacking energy: -337.991 Base-Backbone interact. energy: -0.847 local terms energy: -364.781626 where: bonds (distance) C4'-P energy: -70.636 bonds (distance) P-C4' energy: -79.947 flat angles C4'-P-C4' energy: -88.250 flat angles P-C4'-P energy: -44.647 tors. eta vs tors. theta energy: -81.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1053.448400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.448400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.448400 (E_RNA) where: Base-Base interactions energy: -685.290 where: short stacking energy: -302.391 Base-Backbone interact. energy: -2.283 local terms energy: -365.875967 where: bonds (distance) C4'-P energy: -81.805 bonds (distance) P-C4' energy: -77.554 flat angles C4'-P-C4' energy: -94.958 flat angles P-C4'-P energy: -51.273 tors. eta vs tors. theta energy: -60.286 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: 8, replica: 3 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -986.797906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.797906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.797906 (E_RNA) where: Base-Base interactions energy: -627.661 where: short stacking energy: -273.592 Base-Backbone interact. energy: -0.531 local terms energy: -358.605016 where: bonds (distance) C4'-P energy: -80.448 bonds (distance) P-C4' energy: -86.986 flat angles C4'-P-C4' energy: -69.999 flat angles P-C4'-P energy: -58.096 tors. eta vs tors. theta energy: -63.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -751.997639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.997639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.997639 (E_RNA) where: Base-Base interactions energy: -463.596 where: short stacking energy: -231.484 Base-Backbone interact. energy: 1.132 local terms energy: -289.533364 where: bonds (distance) C4'-P energy: -67.860 bonds (distance) P-C4' energy: -66.874 flat angles C4'-P-C4' energy: -66.652 flat angles P-C4'-P energy: -54.478 tors. eta vs tors. theta energy: -33.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -570.806380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.806380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.806380 (E_RNA) where: Base-Base interactions energy: -310.546 where: short stacking energy: -171.097 Base-Backbone interact. energy: -2.848 local terms energy: -257.412457 where: bonds (distance) C4'-P energy: -75.939 bonds (distance) P-C4' energy: -82.586 flat angles C4'-P-C4' energy: -71.062 flat angles P-C4'-P energy: -25.038 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: 1, replica: 6 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1706.026665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.026665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.026665 (E_RNA) where: Base-Base interactions energy: -1164.019 where: short stacking energy: -534.497 Base-Backbone interact. energy: -1.512 local terms energy: -540.495077 where: bonds (distance) C4'-P energy: -91.530 bonds (distance) P-C4' energy: -99.924 flat angles C4'-P-C4' energy: -112.189 flat angles P-C4'-P energy: -78.515 tors. eta vs tors. theta energy: -158.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1683.069583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.069583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.069583 (E_RNA) where: Base-Base interactions energy: -1171.108 where: short stacking energy: -519.598 Base-Backbone interact. energy: -2.601 local terms energy: -509.360915 where: bonds (distance) C4'-P energy: -82.968 bonds (distance) P-C4' energy: -98.540 flat angles C4'-P-C4' energy: -105.476 flat angles P-C4'-P energy: -73.476 tors. eta vs tors. theta energy: -148.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1593.879319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.879319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.879319 (E_RNA) where: Base-Base interactions energy: -1071.641 where: short stacking energy: -494.748 Base-Backbone interact. energy: -0.790 local terms energy: -521.448217 where: bonds (distance) C4'-P energy: -97.598 bonds (distance) P-C4' energy: -94.901 flat angles C4'-P-C4' energy: -112.716 flat angles P-C4'-P energy: -65.616 tors. eta vs tors. theta energy: -150.619 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: 206 Temperature: 1.050000 Total energy: -1532.581495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.581495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.581495 (E_RNA) where: Base-Base interactions energy: -1055.897 where: short stacking energy: -448.882 Base-Backbone interact. energy: -1.960 local terms energy: -474.725064 where: bonds (distance) C4'-P energy: -84.713 bonds (distance) P-C4' energy: -100.090 flat angles C4'-P-C4' energy: -97.069 flat angles P-C4'-P energy: -67.570 tors. eta vs tors. theta energy: -125.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1489.232495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.232495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.232495 (E_RNA) where: Base-Base interactions energy: -1032.364 where: short stacking energy: -430.079 Base-Backbone interact. energy: -1.804 local terms energy: -455.065096 where: bonds (distance) C4'-P energy: -78.504 bonds (distance) P-C4' energy: -94.723 flat angles C4'-P-C4' energy: -108.538 flat angles P-C4'-P energy: -58.393 tors. eta vs tors. theta energy: -114.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1174.293072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.293072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.293072 (E_RNA) where: Base-Base interactions energy: -770.193 where: short stacking energy: -349.421 Base-Backbone interact. energy: 3.744 local terms energy: -407.843921 where: bonds (distance) C4'-P energy: -84.843 bonds (distance) P-C4' energy: -88.993 flat angles C4'-P-C4' energy: -97.031 flat angles P-C4'-P energy: -55.384 tors. eta vs tors. theta energy: -81.594 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: 7 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1077.682541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.682541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.682541 (E_RNA) where: Base-Base interactions energy: -686.738 where: short stacking energy: -324.583 Base-Backbone interact. energy: -0.430 local terms energy: -390.515089 where: bonds (distance) C4'-P energy: -61.203 bonds (distance) P-C4' energy: -99.556 flat angles C4'-P-C4' energy: -82.880 flat angles P-C4'-P energy: -59.249 tors. eta vs tors. theta energy: -87.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -865.919234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.919234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.919234 (E_RNA) where: Base-Base interactions energy: -544.291 where: short stacking energy: -256.338 Base-Backbone interact. energy: -1.011 local terms energy: -320.617154 where: bonds (distance) C4'-P energy: -72.444 bonds (distance) P-C4' energy: -76.614 flat angles C4'-P-C4' energy: -94.849 flat angles P-C4'-P energy: -38.000 tors. eta vs tors. theta energy: -38.709 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: 1 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -703.152065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.152065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.152065 (E_RNA) where: Base-Base interactions energy: -400.149 where: short stacking energy: -211.552 Base-Backbone interact. energy: -0.529 local terms energy: -302.474052 where: bonds (distance) C4'-P energy: -84.023 bonds (distance) P-C4' energy: -75.034 flat angles C4'-P-C4' energy: -83.054 flat angles P-C4'-P energy: -41.483 tors. eta vs tors. theta energy: -18.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -549.518888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.518888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.518888 (E_RNA) where: Base-Base interactions energy: -284.276 where: short stacking energy: -146.283 Base-Backbone interact. energy: -0.010 local terms energy: -265.232619 where: bonds (distance) C4'-P energy: -79.084 bonds (distance) P-C4' energy: -79.266 flat angles C4'-P-C4' energy: -65.346 flat angles P-C4'-P energy: -44.466 tors. eta vs tors. theta energy: 2.930 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: 1, replica: 6 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1732.653125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.653125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.653125 (E_RNA) where: Base-Base interactions energy: -1196.352 where: short stacking energy: -540.004 Base-Backbone interact. energy: -1.832 local terms energy: -534.469256 where: bonds (distance) C4'-P energy: -90.579 bonds (distance) P-C4' energy: -101.279 flat angles C4'-P-C4' energy: -116.308 flat angles P-C4'-P energy: -71.591 tors. eta vs tors. theta energy: -154.711 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: 8 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1668.242251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.242251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.242251 (E_RNA) where: Base-Base interactions energy: -1137.917 where: short stacking energy: -495.207 Base-Backbone interact. energy: -2.659 local terms energy: -527.666009 where: bonds (distance) C4'-P energy: -90.341 bonds (distance) P-C4' energy: -98.010 flat angles C4'-P-C4' energy: -109.644 flat angles P-C4'-P energy: -71.599 tors. eta vs tors. theta energy: -158.071 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: 3, replica: 2 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1558.871465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.871465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.871465 (E_RNA) where: Base-Base interactions energy: -1067.312 where: short stacking energy: -485.944 Base-Backbone interact. energy: -0.725 local terms energy: -490.834684 where: bonds (distance) C4'-P energy: -92.409 bonds (distance) P-C4' energy: -92.607 flat angles C4'-P-C4' energy: -94.890 flat angles P-C4'-P energy: -66.942 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: 4, replica: 10 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1514.062916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.062916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.062916 (E_RNA) where: Base-Base interactions energy: -1055.191 where: short stacking energy: -433.621 Base-Backbone interact. energy: -1.959 local terms energy: -456.912656 where: bonds (distance) C4'-P energy: -72.785 bonds (distance) P-C4' energy: -85.150 flat angles C4'-P-C4' energy: -97.933 flat angles P-C4'-P energy: -65.265 tors. eta vs tors. theta energy: -135.779 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: 4 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1422.907508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.907508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.907508 (E_RNA) where: Base-Base interactions energy: -974.338 where: short stacking energy: -417.516 Base-Backbone interact. energy: -3.420 local terms energy: -445.149341 where: bonds (distance) C4'-P energy: -90.115 bonds (distance) P-C4' energy: -91.336 flat angles C4'-P-C4' energy: -90.663 flat angles P-C4'-P energy: -56.656 tors. eta vs tors. theta energy: -116.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1182.881592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.881592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.881592 (E_RNA) where: Base-Base interactions energy: -797.499 where: short stacking energy: -341.589 Base-Backbone interact. energy: -1.401 local terms energy: -383.981694 where: bonds (distance) C4'-P energy: -69.850 bonds (distance) P-C4' energy: -80.466 flat angles C4'-P-C4' energy: -88.228 flat angles P-C4'-P energy: -57.820 tors. eta vs tors. theta energy: -87.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1039.460375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.460375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.460375 (E_RNA) where: Base-Base interactions energy: -677.237 where: short stacking energy: -302.565 Base-Backbone interact. energy: -2.086 local terms energy: -360.137115 where: bonds (distance) C4'-P energy: -87.887 bonds (distance) P-C4' energy: -70.736 flat angles C4'-P-C4' energy: -75.541 flat angles P-C4'-P energy: -53.521 tors. eta vs tors. theta energy: -72.452 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: 8, replica: 3 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -810.195086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.195086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.195086 (E_RNA) where: Base-Base interactions energy: -497.545 where: short stacking energy: -241.546 Base-Backbone interact. energy: 1.563 local terms energy: -314.212780 where: bonds (distance) C4'-P energy: -73.633 bonds (distance) P-C4' energy: -85.640 flat angles C4'-P-C4' energy: -68.558 flat angles P-C4'-P energy: -59.259 tors. eta vs tors. theta energy: -27.123 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: 1 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -710.980898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.980898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.980898 (E_RNA) where: Base-Base interactions energy: -413.575 where: short stacking energy: -201.957 Base-Backbone interact. energy: 1.182 local terms energy: -298.587061 where: bonds (distance) C4'-P energy: -82.630 bonds (distance) P-C4' energy: -91.271 flat angles C4'-P-C4' energy: -56.189 flat angles P-C4'-P energy: -47.834 tors. eta vs tors. theta energy: -20.663 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: 9 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -577.926961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.926961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.926961 (E_RNA) where: Base-Base interactions energy: -285.448 where: short stacking energy: -187.506 Base-Backbone interact. energy: 3.445 local terms energy: -295.924300 where: bonds (distance) C4'-P energy: -76.259 bonds (distance) P-C4' energy: -71.530 flat angles C4'-P-C4' energy: -68.913 flat angles P-C4'-P energy: -52.972 tors. eta vs tors. theta energy: -26.250 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: 6 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1733.621233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.621233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.621233 (E_RNA) where: Base-Base interactions energy: -1197.210 where: short stacking energy: -542.599 Base-Backbone interact. energy: -1.368 local terms energy: -535.043224 where: bonds (distance) C4'-P energy: -90.727 bonds (distance) P-C4' energy: -83.076 flat angles C4'-P-C4' energy: -116.014 flat angles P-C4'-P energy: -78.000 tors. eta vs tors. theta energy: -167.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1646.096680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.096680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.096680 (E_RNA) where: Base-Base interactions energy: -1145.192 where: short stacking energy: -492.280 Base-Backbone interact. energy: -2.069 local terms energy: -498.835917 where: bonds (distance) C4'-P energy: -94.509 bonds (distance) P-C4' energy: -92.836 flat angles C4'-P-C4' energy: -108.405 flat angles P-C4'-P energy: -58.112 tors. eta vs tors. theta energy: -144.974 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: 208 Temperature: 1.000000 Total energy: -1578.168274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.168274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.168274 (E_RNA) where: Base-Base interactions energy: -1056.630 where: short stacking energy: -478.153 Base-Backbone interact. energy: -3.767 local terms energy: -517.770782 where: bonds (distance) C4'-P energy: -92.695 bonds (distance) P-C4' energy: -106.884 flat angles C4'-P-C4' energy: -106.795 flat angles P-C4'-P energy: -68.719 tors. eta vs tors. theta energy: -142.677 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: 4, replica: 10 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1559.534448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.534448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.534448 (E_RNA) where: Base-Base interactions energy: -1074.240 where: short stacking energy: -466.120 Base-Backbone interact. energy: -1.102 local terms energy: -484.192373 where: bonds (distance) C4'-P energy: -86.348 bonds (distance) P-C4' energy: -97.992 flat angles C4'-P-C4' energy: -95.236 flat angles P-C4'-P energy: -66.624 tors. eta vs tors. theta energy: -137.993 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: 4 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1406.416651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.416651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.416651 (E_RNA) where: Base-Base interactions energy: -980.371 where: short stacking energy: -396.159 Base-Backbone interact. energy: -2.912 local terms energy: -423.133592 where: bonds (distance) C4'-P energy: -78.750 bonds (distance) P-C4' energy: -78.078 flat angles C4'-P-C4' energy: -96.050 flat angles P-C4'-P energy: -68.211 tors. eta vs tors. theta energy: -102.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1171.366473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.366473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.366473 (E_RNA) where: Base-Base interactions energy: -753.394 where: short stacking energy: -357.848 Base-Backbone interact. energy: -4.403 local terms energy: -413.568931 where: bonds (distance) C4'-P energy: -80.678 bonds (distance) P-C4' energy: -82.098 flat angles C4'-P-C4' energy: -94.002 flat angles P-C4'-P energy: -65.382 tors. eta vs tors. theta energy: -91.410 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: 7 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1077.188484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.188484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.188484 (E_RNA) where: Base-Base interactions energy: -697.815 where: short stacking energy: -306.219 Base-Backbone interact. energy: -1.088 local terms energy: -378.285655 where: bonds (distance) C4'-P energy: -76.864 bonds (distance) P-C4' energy: -96.388 flat angles C4'-P-C4' energy: -82.183 flat angles P-C4'-P energy: -50.072 tors. eta vs tors. theta energy: -72.779 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: 8, replica: 3 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -770.009392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.009392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.009392 (E_RNA) where: Base-Base interactions energy: -457.673 where: short stacking energy: -221.386 Base-Backbone interact. energy: 0.196 local terms energy: -312.532225 where: bonds (distance) C4'-P energy: -64.300 bonds (distance) P-C4' energy: -90.818 flat angles C4'-P-C4' energy: -77.637 flat angles P-C4'-P energy: -54.413 tors. eta vs tors. theta energy: -25.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -741.869429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.869429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.869429 (E_RNA) where: Base-Base interactions energy: -409.459 where: short stacking energy: -210.807 Base-Backbone interact. energy: -3.544 local terms energy: -328.866142 where: bonds (distance) C4'-P energy: -68.618 bonds (distance) P-C4' energy: -69.093 flat angles C4'-P-C4' energy: -94.842 flat angles P-C4'-P energy: -54.953 tors. eta vs tors. theta energy: -41.360 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: 9 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -516.505476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.505476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.505476 (E_RNA) where: Base-Base interactions energy: -261.765 where: short stacking energy: -133.969 Base-Backbone interact. energy: -1.305 local terms energy: -253.435433 where: bonds (distance) C4'-P energy: -86.561 bonds (distance) P-C4' energy: -77.681 flat angles C4'-P-C4' energy: -65.031 flat angles P-C4'-P energy: -37.209 tors. eta vs tors. theta energy: 13.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1717.950449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.950449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.950449 (E_RNA) where: Base-Base interactions energy: -1179.642 where: short stacking energy: -540.586 Base-Backbone interact. energy: -0.713 local terms energy: -537.595357 where: bonds (distance) C4'-P energy: -84.576 bonds (distance) P-C4' energy: -97.851 flat angles C4'-P-C4' energy: -114.186 flat angles P-C4'-P energy: -78.954 tors. eta vs tors. theta energy: -162.029 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: 8 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1658.836376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.836376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.836376 (E_RNA) where: Base-Base interactions energy: -1161.768 where: short stacking energy: -505.768 Base-Backbone interact. energy: -3.124 local terms energy: -493.944919 where: bonds (distance) C4'-P energy: -93.139 bonds (distance) P-C4' energy: -83.258 flat angles C4'-P-C4' energy: -103.278 flat angles P-C4'-P energy: -69.500 tors. eta vs tors. theta energy: -144.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1573.545266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.545266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.545266 (E_RNA) where: Base-Base interactions energy: -1077.502 where: short stacking energy: -480.045 Base-Backbone interact. energy: 3.611 local terms energy: -499.654050 where: bonds (distance) C4'-P energy: -102.667 bonds (distance) P-C4' energy: -83.553 flat angles C4'-P-C4' energy: -101.264 flat angles P-C4'-P energy: -71.018 tors. eta vs tors. theta energy: -141.152 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: 10 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1578.659334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.659334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.659334 (E_RNA) where: Base-Base interactions energy: -1077.581 where: short stacking energy: -447.632 Base-Backbone interact. energy: -1.494 local terms energy: -499.584121 where: bonds (distance) C4'-P energy: -85.912 bonds (distance) P-C4' energy: -101.472 flat angles C4'-P-C4' energy: -106.662 flat angles P-C4'-P energy: -72.339 tors. eta vs tors. theta energy: -133.199 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: 4 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1402.880423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.880423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.880423 (E_RNA) where: Base-Base interactions energy: -970.435 where: short stacking energy: -417.645 Base-Backbone interact. energy: -4.091 local terms energy: -428.353840 where: bonds (distance) C4'-P energy: -86.865 bonds (distance) P-C4' energy: -88.787 flat angles C4'-P-C4' energy: -89.205 flat angles P-C4'-P energy: -55.409 tors. eta vs tors. theta energy: -108.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1096.275576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.275576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.275576 (E_RNA) where: Base-Base interactions energy: -702.703 where: short stacking energy: -323.014 Base-Backbone interact. energy: 4.296 local terms energy: -397.868648 where: bonds (distance) C4'-P energy: -72.542 bonds (distance) P-C4' energy: -92.401 flat angles C4'-P-C4' energy: -84.617 flat angles P-C4'-P energy: -66.638 tors. eta vs tors. theta energy: -81.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1119.793085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.793085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.793085 (E_RNA) where: Base-Base interactions energy: -750.829 where: short stacking energy: -329.705 Base-Backbone interact. energy: 0.671 local terms energy: -369.634729 where: bonds (distance) C4'-P energy: -71.072 bonds (distance) P-C4' energy: -77.380 flat angles C4'-P-C4' energy: -86.609 flat angles P-C4'-P energy: -65.595 tors. eta vs tors. theta energy: -68.979 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: 8, replica: 3 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -844.441750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.441750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.441750 (E_RNA) where: Base-Base interactions energy: -510.899 where: short stacking energy: -230.079 Base-Backbone interact. energy: -0.607 local terms energy: -332.935619 where: bonds (distance) C4'-P energy: -88.411 bonds (distance) P-C4' energy: -72.801 flat angles C4'-P-C4' energy: -86.207 flat angles P-C4'-P energy: -43.184 tors. eta vs tors. theta energy: -42.333 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: 1 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -748.202961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.202961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.202961 (E_RNA) where: Base-Base interactions energy: -443.009 where: short stacking energy: -207.997 Base-Backbone interact. energy: -1.673 local terms energy: -303.520928 where: bonds (distance) C4'-P energy: -70.541 bonds (distance) P-C4' energy: -88.962 flat angles C4'-P-C4' energy: -67.852 flat angles P-C4'-P energy: -42.052 tors. eta vs tors. theta energy: -34.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -490.845234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.845234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.845234 (E_RNA) where: Base-Base interactions energy: -238.794 where: short stacking energy: -134.210 Base-Backbone interact. energy: -1.112 local terms energy: -250.938599 where: bonds (distance) C4'-P energy: -59.113 bonds (distance) P-C4' energy: -81.345 flat angles C4'-P-C4' energy: -73.151 flat angles P-C4'-P energy: -44.435 tors. eta vs tors. theta energy: 7.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1720.269984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.269984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.269984 (E_RNA) where: Base-Base interactions energy: -1185.453 where: short stacking energy: -544.544 Base-Backbone interact. energy: -0.780 local terms energy: -534.037544 where: bonds (distance) C4'-P energy: -92.693 bonds (distance) P-C4' energy: -91.230 flat angles C4'-P-C4' energy: -112.617 flat angles P-C4'-P energy: -77.005 tors. eta vs tors. theta energy: -160.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1668.453118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.453118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.453118 (E_RNA) where: Base-Base interactions energy: -1150.098 where: short stacking energy: -501.826 Base-Backbone interact. energy: 0.044 local terms energy: -518.399047 where: bonds (distance) C4'-P energy: -89.149 bonds (distance) P-C4' energy: -98.116 flat angles C4'-P-C4' energy: -111.755 flat angles P-C4'-P energy: -73.184 tors. eta vs tors. theta energy: -146.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1589.004391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.004391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.004391 (E_RNA) where: Base-Base interactions energy: -1069.303 where: short stacking energy: -474.516 Base-Backbone interact. energy: -3.740 local terms energy: -515.961972 where: bonds (distance) C4'-P energy: -104.025 bonds (distance) P-C4' energy: -94.438 flat angles C4'-P-C4' energy: -108.412 flat angles P-C4'-P energy: -66.836 tors. eta vs tors. theta energy: -142.251 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: 10 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1564.808752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.808752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.808752 (E_RNA) where: Base-Base interactions energy: -1102.606 where: short stacking energy: -458.746 Base-Backbone interact. energy: -0.752 local terms energy: -461.450935 where: bonds (distance) C4'-P energy: -92.192 bonds (distance) P-C4' energy: -82.526 flat angles C4'-P-C4' energy: -92.568 flat angles P-C4'-P energy: -66.320 tors. eta vs tors. theta energy: -127.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -1425.455090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.455090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.455090 (E_RNA) where: Base-Base interactions energy: -981.042 where: short stacking energy: -411.463 Base-Backbone interact. energy: -0.964 local terms energy: -443.448970 where: bonds (distance) C4'-P energy: -94.909 bonds (distance) P-C4' energy: -90.957 flat angles C4'-P-C4' energy: -98.711 flat angles P-C4'-P energy: -59.266 tors. eta vs tors. theta energy: -99.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1156.685848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.685848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.685848 (E_RNA) where: Base-Base interactions energy: -748.412 where: short stacking energy: -340.222 Base-Backbone interact. energy: 2.109 local terms energy: -410.383204 where: bonds (distance) C4'-P energy: -85.944 bonds (distance) P-C4' energy: -99.953 flat angles C4'-P-C4' energy: -76.424 flat angles P-C4'-P energy: -64.472 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: 5 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1081.838358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.838358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.838358 (E_RNA) where: Base-Base interactions energy: -712.282 where: short stacking energy: -317.785 Base-Backbone interact. energy: 1.614 local terms energy: -371.170748 where: bonds (distance) C4'-P energy: -76.677 bonds (distance) P-C4' energy: -79.707 flat angles C4'-P-C4' energy: -89.226 flat angles P-C4'-P energy: -55.556 tors. eta vs tors. theta energy: -70.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -864.484543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.484543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.484543 (E_RNA) where: Base-Base interactions energy: -532.947 where: short stacking energy: -257.400 Base-Backbone interact. energy: -2.138 local terms energy: -329.398937 where: bonds (distance) C4'-P energy: -78.164 bonds (distance) P-C4' energy: -95.884 flat angles C4'-P-C4' energy: -62.415 flat angles P-C4'-P energy: -47.993 tors. eta vs tors. theta energy: -44.943 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: 1 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -709.924627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.924627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.924627 (E_RNA) where: Base-Base interactions energy: -415.572 where: short stacking energy: -221.349 Base-Backbone interact. energy: 0.063 local terms energy: -294.416204 where: bonds (distance) C4'-P energy: -70.626 bonds (distance) P-C4' energy: -82.440 flat angles C4'-P-C4' energy: -60.936 flat angles P-C4'-P energy: -49.833 tors. eta vs tors. theta energy: -30.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -534.752982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.752982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.752982 (E_RNA) where: Base-Base interactions energy: -273.967 where: short stacking energy: -148.797 Base-Backbone interact. energy: -1.667 local terms energy: -259.118852 where: bonds (distance) C4'-P energy: -83.922 bonds (distance) P-C4' energy: -88.399 flat angles C4'-P-C4' energy: -60.311 flat angles P-C4'-P energy: -24.146 tors. eta vs tors. theta energy: -2.340 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: 1, replica: 6 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1738.621544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.621544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.621544 (E_RNA) where: Base-Base interactions energy: -1190.807 where: short stacking energy: -533.137 Base-Backbone interact. energy: -2.259 local terms energy: -545.555822 where: bonds (distance) C4'-P energy: -102.210 bonds (distance) P-C4' energy: -85.538 flat angles C4'-P-C4' energy: -113.400 flat angles P-C4'-P energy: -79.400 tors. eta vs tors. theta energy: -165.008 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: 8 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1649.564534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.564534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.564534 (E_RNA) where: Base-Base interactions energy: -1155.827 where: short stacking energy: -492.067 Base-Backbone interact. energy: -3.004 local terms energy: -490.733294 where: bonds (distance) C4'-P energy: -89.246 bonds (distance) P-C4' energy: -82.358 flat angles C4'-P-C4' energy: -115.469 flat angles P-C4'-P energy: -67.807 tors. eta vs tors. theta energy: -135.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1542.224583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.224583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.224583 (E_RNA) where: Base-Base interactions energy: -1064.583 where: short stacking energy: -469.946 Base-Backbone interact. energy: -1.246 local terms energy: -476.396067 where: bonds (distance) C4'-P energy: -76.869 bonds (distance) P-C4' energy: -75.273 flat angles C4'-P-C4' energy: -113.008 flat angles P-C4'-P energy: -69.981 tors. eta vs tors. theta energy: -141.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1540.061625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.061625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.061625 (E_RNA) where: Base-Base interactions energy: -1069.738 where: short stacking energy: -464.171 Base-Backbone interact. energy: -1.205 local terms energy: -469.118232 where: bonds (distance) C4'-P energy: -66.074 bonds (distance) P-C4' energy: -89.681 flat angles C4'-P-C4' energy: -104.178 flat angles P-C4'-P energy: -71.131 tors. eta vs tors. theta energy: -138.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1424.277723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.277723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.277723 (E_RNA) where: Base-Base interactions energy: -954.220 where: short stacking energy: -401.977 Base-Backbone interact. energy: -1.503 local terms energy: -468.554948 where: bonds (distance) C4'-P energy: -84.810 bonds (distance) P-C4' energy: -88.927 flat angles C4'-P-C4' energy: -104.711 flat angles P-C4'-P energy: -72.071 tors. eta vs tors. theta energy: -118.036 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: 7 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1142.385684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.385684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.385684 (E_RNA) where: Base-Base interactions energy: -748.223 where: short stacking energy: -329.108 Base-Backbone interact. energy: -4.092 local terms energy: -390.070760 where: bonds (distance) C4'-P energy: -85.630 bonds (distance) P-C4' energy: -79.783 flat angles C4'-P-C4' energy: -90.206 flat angles P-C4'-P energy: -54.035 tors. eta vs tors. theta energy: -80.416 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: 5 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1078.861084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.861084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.861084 (E_RNA) where: Base-Base interactions energy: -689.241 where: short stacking energy: -321.400 Base-Backbone interact. energy: 0.588 local terms energy: -390.208397 where: bonds (distance) C4'-P energy: -77.313 bonds (distance) P-C4' energy: -96.628 flat angles C4'-P-C4' energy: -83.972 flat angles P-C4'-P energy: -61.181 tors. eta vs tors. theta energy: -71.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -821.587236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.587236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.587236 (E_RNA) where: Base-Base interactions energy: -466.035 where: short stacking energy: -221.374 Base-Backbone interact. energy: -1.535 local terms energy: -354.017723 where: bonds (distance) C4'-P energy: -90.511 bonds (distance) P-C4' energy: -83.666 flat angles C4'-P-C4' energy: -89.560 flat angles P-C4'-P energy: -56.197 tors. eta vs tors. theta energy: -34.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -727.173339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.173339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.173339 (E_RNA) where: Base-Base interactions energy: -435.959 where: short stacking energy: -201.514 Base-Backbone interact. energy: -0.026 local terms energy: -291.188093 where: bonds (distance) C4'-P energy: -77.938 bonds (distance) P-C4' energy: -83.943 flat angles C4'-P-C4' energy: -54.681 flat angles P-C4'-P energy: -48.721 tors. eta vs tors. theta energy: -25.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -557.291474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.291474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.291474 (E_RNA) where: Base-Base interactions energy: -271.459 where: short stacking energy: -179.370 Base-Backbone interact. energy: 2.071 local terms energy: -287.903107 where: bonds (distance) C4'-P energy: -89.514 bonds (distance) P-C4' energy: -75.560 flat angles C4'-P-C4' energy: -71.258 flat angles P-C4'-P energy: -34.291 tors. eta vs tors. theta energy: -17.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1723.113952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.113952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.113952 (E_RNA) where: Base-Base interactions energy: -1166.412 where: short stacking energy: -527.978 Base-Backbone interact. energy: 0.115 local terms energy: -556.816990 where: bonds (distance) C4'-P energy: -98.305 bonds (distance) P-C4' energy: -99.797 flat angles C4'-P-C4' energy: -121.398 flat angles P-C4'-P energy: -83.795 tors. eta vs tors. theta energy: -153.523 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: 8 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1699.920633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.920633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.920633 (E_RNA) where: Base-Base interactions energy: -1185.474 where: short stacking energy: -506.673 Base-Backbone interact. energy: 0.779 local terms energy: -515.225275 where: bonds (distance) C4'-P energy: -87.971 bonds (distance) P-C4' energy: -91.524 flat angles C4'-P-C4' energy: -111.640 flat angles P-C4'-P energy: -76.045 tors. eta vs tors. theta energy: -148.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1561.545769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.545769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.545769 (E_RNA) where: Base-Base interactions energy: -1067.222 where: short stacking energy: -476.710 Base-Backbone interact. energy: -1.122 local terms energy: -493.202697 where: bonds (distance) C4'-P energy: -74.968 bonds (distance) P-C4' energy: -102.311 flat angles C4'-P-C4' energy: -96.841 flat angles P-C4'-P energy: -75.575 tors. eta vs tors. theta energy: -143.507 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: 10 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1539.459414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.459414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.459414 (E_RNA) where: Base-Base interactions energy: -1057.549 where: short stacking energy: -438.154 Base-Backbone interact. energy: 0.084 local terms energy: -481.994491 where: bonds (distance) C4'-P energy: -98.765 bonds (distance) P-C4' energy: -87.027 flat angles C4'-P-C4' energy: -103.663 flat angles P-C4'-P energy: -68.191 tors. eta vs tors. theta energy: -124.348 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: 212 Temperature: 1.100000 Total energy: -1453.606959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.606959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.606959 (E_RNA) where: Base-Base interactions energy: -1019.982 where: short stacking energy: -431.872 Base-Backbone interact. energy: -1.370 local terms energy: -432.254801 where: bonds (distance) C4'-P energy: -72.512 bonds (distance) P-C4' energy: -82.343 flat angles C4'-P-C4' energy: -95.140 flat angles P-C4'-P energy: -67.119 tors. eta vs tors. theta energy: -115.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1147.480702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.480702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.480702 (E_RNA) where: Base-Base interactions energy: -773.826 where: short stacking energy: -334.332 Base-Backbone interact. energy: 1.039 local terms energy: -374.694136 where: bonds (distance) C4'-P energy: -83.984 bonds (distance) P-C4' energy: -84.140 flat angles C4'-P-C4' energy: -89.381 flat angles P-C4'-P energy: -44.264 tors. eta vs tors. theta energy: -72.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1046.758737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.758737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.758737 (E_RNA) where: Base-Base interactions energy: -673.727 where: short stacking energy: -316.878 Base-Backbone interact. energy: -0.082 local terms energy: -372.950225 where: bonds (distance) C4'-P energy: -92.829 bonds (distance) P-C4' energy: -76.483 flat angles C4'-P-C4' energy: -84.862 flat angles P-C4'-P energy: -47.563 tors. eta vs tors. theta energy: -71.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -800.126020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.126020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.126020 (E_RNA) where: Base-Base interactions energy: -466.554 where: short stacking energy: -247.516 Base-Backbone interact. energy: -0.329 local terms energy: -333.242330 where: bonds (distance) C4'-P energy: -77.113 bonds (distance) P-C4' energy: -76.282 flat angles C4'-P-C4' energy: -82.647 flat angles P-C4'-P energy: -38.982 tors. eta vs tors. theta energy: -58.218 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: 1 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -692.304934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.304934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.304934 (E_RNA) where: Base-Base interactions energy: -407.437 where: short stacking energy: -178.099 Base-Backbone interact. energy: 1.650 local terms energy: -286.518677 where: bonds (distance) C4'-P energy: -69.768 bonds (distance) P-C4' energy: -85.265 flat angles C4'-P-C4' energy: -76.519 flat angles P-C4'-P energy: -40.528 tors. eta vs tors. theta energy: -14.438 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: 9 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -489.378075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.378075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.378075 (E_RNA) where: Base-Base interactions energy: -233.392 where: short stacking energy: -137.619 Base-Backbone interact. energy: 0.937 local terms energy: -256.923436 where: bonds (distance) C4'-P energy: -73.927 bonds (distance) P-C4' energy: -82.265 flat angles C4'-P-C4' energy: -67.144 flat angles P-C4'-P energy: -42.741 tors. eta vs tors. theta energy: 9.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1727.049804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.049804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.049804 (E_RNA) where: Base-Base interactions energy: -1169.263 where: short stacking energy: -537.317 Base-Backbone interact. energy: -1.564 local terms energy: -556.222793 where: bonds (distance) C4'-P energy: -95.827 bonds (distance) P-C4' energy: -99.841 flat angles C4'-P-C4' energy: -116.371 flat angles P-C4'-P energy: -80.603 tors. eta vs tors. theta energy: -163.581 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: 8 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1676.019300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.019300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.019300 (E_RNA) where: Base-Base interactions energy: -1161.235 where: short stacking energy: -499.735 Base-Backbone interact. energy: 4.845 local terms energy: -519.628837 where: bonds (distance) C4'-P energy: -94.916 bonds (distance) P-C4' energy: -90.781 flat angles C4'-P-C4' energy: -108.129 flat angles P-C4'-P energy: -76.829 tors. eta vs tors. theta energy: -148.975 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: 2 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1570.209145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.209145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.209145 (E_RNA) where: Base-Base interactions energy: -1056.854 where: short stacking energy: -459.948 Base-Backbone interact. energy: -1.862 local terms energy: -511.492499 where: bonds (distance) C4'-P energy: -95.826 bonds (distance) P-C4' energy: -92.446 flat angles C4'-P-C4' energy: -108.454 flat angles P-C4'-P energy: -74.496 tors. eta vs tors. theta energy: -140.270 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: 10 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1551.075115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.075115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.075115 (E_RNA) where: Base-Base interactions energy: -1096.661 where: short stacking energy: -455.451 Base-Backbone interact. energy: 0.313 local terms energy: -454.727246 where: bonds (distance) C4'-P energy: -77.958 bonds (distance) P-C4' energy: -89.265 flat angles C4'-P-C4' energy: -97.124 flat angles P-C4'-P energy: -65.474 tors. eta vs tors. theta energy: -124.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1483.302868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.302868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.302868 (E_RNA) where: Base-Base interactions energy: -1046.495 where: short stacking energy: -450.743 Base-Backbone interact. energy: -1.483 local terms energy: -435.325254 where: bonds (distance) C4'-P energy: -78.433 bonds (distance) P-C4' energy: -94.055 flat angles C4'-P-C4' energy: -93.705 flat angles P-C4'-P energy: -61.322 tors. eta vs tors. theta energy: -107.809 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: 213 Temperature: 1.150000 Total energy: -1126.266583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.266583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.266583 (E_RNA) where: Base-Base interactions energy: -746.162 where: short stacking energy: -313.892 Base-Backbone interact. energy: -0.370 local terms energy: -379.734300 where: bonds (distance) C4'-P energy: -79.277 bonds (distance) P-C4' energy: -77.395 flat angles C4'-P-C4' energy: -88.142 flat angles P-C4'-P energy: -60.942 tors. eta vs tors. theta energy: -73.978 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: 5 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1049.916056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.916056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.916056 (E_RNA) where: Base-Base interactions energy: -697.932 where: short stacking energy: -302.121 Base-Backbone interact. energy: -2.508 local terms energy: -349.476346 where: bonds (distance) C4'-P energy: -61.266 bonds (distance) P-C4' energy: -83.454 flat angles C4'-P-C4' energy: -89.294 flat angles P-C4'-P energy: -48.150 tors. eta vs tors. theta energy: -67.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -775.045842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.045842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.045842 (E_RNA) where: Base-Base interactions energy: -451.678 where: short stacking energy: -233.207 Base-Backbone interact. energy: 0.527 local terms energy: -323.894891 where: bonds (distance) C4'-P energy: -64.375 bonds (distance) P-C4' energy: -82.025 flat angles C4'-P-C4' energy: -81.903 flat angles P-C4'-P energy: -52.753 tors. eta vs tors. theta energy: -42.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -781.263744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.263744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.263744 (E_RNA) where: Base-Base interactions energy: -451.734 where: short stacking energy: -231.098 Base-Backbone interact. energy: -2.502 local terms energy: -327.027718 where: bonds (distance) C4'-P energy: -89.028 bonds (distance) P-C4' energy: -83.551 flat angles C4'-P-C4' energy: -73.788 flat angles P-C4'-P energy: -54.165 tors. eta vs tors. theta energy: -26.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -567.552569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.552569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.552569 (E_RNA) where: Base-Base interactions energy: -283.441 where: short stacking energy: -157.785 Base-Backbone interact. energy: 9.356 local terms energy: -293.468524 where: bonds (distance) C4'-P energy: -82.119 bonds (distance) P-C4' energy: -79.826 flat angles C4'-P-C4' energy: -75.222 flat angles P-C4'-P energy: -49.120 tors. eta vs tors. theta energy: -7.181 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: 6 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1703.189474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.189474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.189474 (E_RNA) where: Base-Base interactions energy: -1177.718 where: short stacking energy: -533.111 Base-Backbone interact. energy: -1.506 local terms energy: -523.965702 where: bonds (distance) C4'-P energy: -93.565 bonds (distance) P-C4' energy: -89.936 flat angles C4'-P-C4' energy: -109.512 flat angles P-C4'-P energy: -71.199 tors. eta vs tors. theta energy: -159.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1683.881494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.881494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.881494 (E_RNA) where: Base-Base interactions energy: -1174.292 where: short stacking energy: -508.584 Base-Backbone interact. energy: 2.143 local terms energy: -511.732004 where: bonds (distance) C4'-P energy: -84.695 bonds (distance) P-C4' energy: -93.899 flat angles C4'-P-C4' energy: -107.943 flat angles P-C4'-P energy: -69.762 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: 3, replica: 10 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1568.895504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.895504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.895504 (E_RNA) where: Base-Base interactions energy: -1077.099 where: short stacking energy: -436.099 Base-Backbone interact. energy: -0.199 local terms energy: -491.598008 where: bonds (distance) C4'-P energy: -89.666 bonds (distance) P-C4' energy: -96.144 flat angles C4'-P-C4' energy: -113.242 flat angles P-C4'-P energy: -63.509 tors. eta vs tors. theta energy: -129.037 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: 2 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1549.576879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.576879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.576879 (E_RNA) where: Base-Base interactions energy: -1054.933 where: short stacking energy: -443.274 Base-Backbone interact. energy: -2.084 local terms energy: -492.560070 where: bonds (distance) C4'-P energy: -89.338 bonds (distance) P-C4' energy: -91.815 flat angles C4'-P-C4' energy: -102.264 flat angles P-C4'-P energy: -75.902 tors. eta vs tors. theta energy: -133.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1480.085793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.085793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.085793 (E_RNA) where: Base-Base interactions energy: -1034.826 where: short stacking energy: -451.151 Base-Backbone interact. energy: -2.743 local terms energy: -442.516810 where: bonds (distance) C4'-P energy: -93.873 bonds (distance) P-C4' energy: -67.766 flat angles C4'-P-C4' energy: -100.258 flat angles P-C4'-P energy: -58.738 tors. eta vs tors. theta energy: -121.881 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: 214 Temperature: 1.150000 Total energy: -1153.233389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.233389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.233389 (E_RNA) where: Base-Base interactions energy: -754.958 where: short stacking energy: -369.555 Base-Backbone interact. energy: -1.434 local terms energy: -396.841539 where: bonds (distance) C4'-P energy: -79.329 bonds (distance) P-C4' energy: -80.904 flat angles C4'-P-C4' energy: -92.201 flat angles P-C4'-P energy: -49.408 tors. eta vs tors. theta energy: -95.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1033.412637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.412637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.412637 (E_RNA) where: Base-Base interactions energy: -662.750 where: short stacking energy: -293.317 Base-Backbone interact. energy: -0.131 local terms energy: -370.531076 where: bonds (distance) C4'-P energy: -89.465 bonds (distance) P-C4' energy: -80.308 flat angles C4'-P-C4' energy: -77.918 flat angles P-C4'-P energy: -53.255 tors. eta vs tors. theta energy: -69.585 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: 3 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -805.105957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.105957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.105957 (E_RNA) where: Base-Base interactions energy: -449.448 where: short stacking energy: -245.783 Base-Backbone interact. energy: -1.623 local terms energy: -354.035113 where: bonds (distance) C4'-P energy: -81.445 bonds (distance) P-C4' energy: -82.045 flat angles C4'-P-C4' energy: -79.048 flat angles P-C4'-P energy: -53.995 tors. eta vs tors. theta energy: -57.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -708.568368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.568368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.568368 (E_RNA) where: Base-Base interactions energy: -407.642 where: short stacking energy: -197.999 Base-Backbone interact. energy: -2.256 local terms energy: -298.669592 where: bonds (distance) C4'-P energy: -81.118 bonds (distance) P-C4' energy: -74.373 flat angles C4'-P-C4' energy: -81.163 flat angles P-C4'-P energy: -35.865 tors. eta vs tors. theta energy: -26.151 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: 10, replica: 9 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -583.494808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.494808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.494808 (E_RNA) where: Base-Base interactions energy: -295.604 where: short stacking energy: -163.587 Base-Backbone interact. energy: 6.663 local terms energy: -294.553556 where: bonds (distance) C4'-P energy: -89.545 bonds (distance) P-C4' energy: -77.903 flat angles C4'-P-C4' energy: -72.672 flat angles P-C4'-P energy: -47.266 tors. eta vs tors. theta energy: -7.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1707.618294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.618294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.618294 (E_RNA) where: Base-Base interactions energy: -1166.963 where: short stacking energy: -522.522 Base-Backbone interact. energy: -1.865 local terms energy: -538.790265 where: bonds (distance) C4'-P energy: -100.712 bonds (distance) P-C4' energy: -99.342 flat angles C4'-P-C4' energy: -107.870 flat angles P-C4'-P energy: -69.368 tors. eta vs tors. theta energy: -161.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1679.878992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.878992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.878992 (E_RNA) where: Base-Base interactions energy: -1154.026 where: short stacking energy: -515.773 Base-Backbone interact. energy: -3.302 local terms energy: -522.551632 where: bonds (distance) C4'-P energy: -93.809 bonds (distance) P-C4' energy: -92.621 flat angles C4'-P-C4' energy: -105.616 flat angles P-C4'-P energy: -75.286 tors. eta vs tors. theta energy: -155.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1599.878964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.878964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.878964 (E_RNA) where: Base-Base interactions energy: -1109.527 where: short stacking energy: -463.981 Base-Backbone interact. energy: -2.699 local terms energy: -487.653347 where: bonds (distance) C4'-P energy: -74.671 bonds (distance) P-C4' energy: -97.502 flat angles C4'-P-C4' energy: -109.445 flat angles P-C4'-P energy: -67.260 tors. eta vs tors. theta energy: -138.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1508.864488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.864488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.864488 (E_RNA) where: Base-Base interactions energy: -1038.885 where: short stacking energy: -451.454 Base-Backbone interact. energy: -2.822 local terms energy: -467.157435 where: bonds (distance) C4'-P energy: -95.063 bonds (distance) P-C4' energy: -69.996 flat angles C4'-P-C4' energy: -107.466 flat angles P-C4'-P energy: -66.081 tors. eta vs tors. theta energy: -128.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1418.564583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.564583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.564583 (E_RNA) where: Base-Base interactions energy: -973.762 where: short stacking energy: -414.475 Base-Backbone interact. energy: 2.092 local terms energy: -446.894971 where: bonds (distance) C4'-P energy: -77.775 bonds (distance) P-C4' energy: -96.286 flat angles C4'-P-C4' energy: -100.955 flat angles P-C4'-P energy: -66.536 tors. eta vs tors. theta energy: -105.342 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: 215 Temperature: 1.150000 Total energy: -1191.600041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.600041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.600041 (E_RNA) where: Base-Base interactions energy: -777.120 where: short stacking energy: -362.274 Base-Backbone interact. energy: 2.709 local terms energy: -417.189712 where: bonds (distance) C4'-P energy: -90.552 bonds (distance) P-C4' energy: -87.030 flat angles C4'-P-C4' energy: -87.822 flat angles P-C4'-P energy: -56.570 tors. eta vs tors. theta energy: -95.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1140.072050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.072050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.072050 (E_RNA) where: Base-Base interactions energy: -766.389 where: short stacking energy: -327.361 Base-Backbone interact. energy: -2.439 local terms energy: -371.244727 where: bonds (distance) C4'-P energy: -83.227 bonds (distance) P-C4' energy: -88.457 flat angles C4'-P-C4' energy: -84.816 flat angles P-C4'-P energy: -51.870 tors. eta vs tors. theta energy: -62.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -774.319268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.319268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.319268 (E_RNA) where: Base-Base interactions energy: -449.071 where: short stacking energy: -226.658 Base-Backbone interact. energy: -2.243 local terms energy: -323.005092 where: bonds (distance) C4'-P energy: -82.344 bonds (distance) P-C4' energy: -77.383 flat angles C4'-P-C4' energy: -71.746 flat angles P-C4'-P energy: -54.195 tors. eta vs tors. theta energy: -37.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -688.143155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.143155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.143155 (E_RNA) where: Base-Base interactions energy: -396.821 where: short stacking energy: -189.353 Base-Backbone interact. energy: 0.003 local terms energy: -291.325047 where: bonds (distance) C4'-P energy: -75.196 bonds (distance) P-C4' energy: -84.833 flat angles C4'-P-C4' energy: -77.318 flat angles P-C4'-P energy: -38.681 tors. eta vs tors. theta energy: -15.297 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: 10, replica: 9 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -663.494229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.494229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.494229 (E_RNA) where: Base-Base interactions energy: -375.433 where: short stacking energy: -185.018 Base-Backbone interact. energy: -1.161 local terms energy: -286.899808 where: bonds (distance) C4'-P energy: -80.210 bonds (distance) P-C4' energy: -90.661 flat angles C4'-P-C4' energy: -65.586 flat angles P-C4'-P energy: -39.157 tors. eta vs tors. theta energy: -11.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1706.249622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.249622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.249622 (E_RNA) where: Base-Base interactions energy: -1149.803 where: short stacking energy: -533.529 Base-Backbone interact. energy: -4.410 local terms energy: -552.036327 where: bonds (distance) C4'-P energy: -93.591 bonds (distance) P-C4' energy: -101.514 flat angles C4'-P-C4' energy: -116.179 flat angles P-C4'-P energy: -80.612 tors. eta vs tors. theta energy: -160.140 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: 216 Temperature: 0.950000 Total energy: -1666.735420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.735420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.735420 (E_RNA) where: Base-Base interactions energy: -1170.069 where: short stacking energy: -517.302 Base-Backbone interact. energy: -2.413 local terms energy: -494.253001 where: bonds (distance) C4'-P energy: -85.402 bonds (distance) P-C4' energy: -80.573 flat angles C4'-P-C4' energy: -104.144 flat angles P-C4'-P energy: -79.101 tors. eta vs tors. theta energy: -145.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1592.149545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.149545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.149545 (E_RNA) where: Base-Base interactions energy: -1092.858 where: short stacking energy: -460.611 Base-Backbone interact. energy: -1.012 local terms energy: -498.279031 where: bonds (distance) C4'-P energy: -97.456 bonds (distance) P-C4' energy: -86.097 flat angles C4'-P-C4' energy: -98.164 flat angles P-C4'-P energy: -82.771 tors. eta vs tors. theta energy: -133.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1530.384560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.384560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.384560 (E_RNA) where: Base-Base interactions energy: -1027.452 where: short stacking energy: -457.245 Base-Backbone interact. energy: 1.251 local terms energy: -504.183900 where: bonds (distance) C4'-P energy: -92.459 bonds (distance) P-C4' energy: -100.097 flat angles C4'-P-C4' energy: -103.057 flat angles P-C4'-P energy: -68.964 tors. eta vs tors. theta energy: -139.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1444.767125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.767125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.767125 (E_RNA) where: Base-Base interactions energy: -1006.295 where: short stacking energy: -411.307 Base-Backbone interact. energy: 0.242 local terms energy: -438.714008 where: bonds (distance) C4'-P energy: -91.058 bonds (distance) P-C4' energy: -87.071 flat angles C4'-P-C4' energy: -98.402 flat angles P-C4'-P energy: -60.772 tors. eta vs tors. theta energy: -101.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1198.561288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.561288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.561288 (E_RNA) where: Base-Base interactions energy: -771.952 where: short stacking energy: -355.871 Base-Backbone interact. energy: -1.565 local terms energy: -425.044585 where: bonds (distance) C4'-P energy: -86.116 bonds (distance) P-C4' energy: -89.821 flat angles C4'-P-C4' energy: -90.389 flat angles P-C4'-P energy: -63.519 tors. eta vs tors. theta energy: -95.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1095.929818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.929818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.929818 (E_RNA) where: Base-Base interactions energy: -704.396 where: short stacking energy: -311.084 Base-Backbone interact. energy: -1.472 local terms energy: -390.061823 where: bonds (distance) C4'-P energy: -87.416 bonds (distance) P-C4' energy: -83.309 flat angles C4'-P-C4' energy: -90.360 flat angles P-C4'-P energy: -46.740 tors. eta vs tors. theta energy: -82.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -771.981382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.981382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.981382 (E_RNA) where: Base-Base interactions energy: -444.933 where: short stacking energy: -240.386 Base-Backbone interact. energy: 0.492 local terms energy: -327.540394 where: bonds (distance) C4'-P energy: -76.380 bonds (distance) P-C4' energy: -84.186 flat angles C4'-P-C4' energy: -82.204 flat angles P-C4'-P energy: -60.366 tors. eta vs tors. theta energy: -24.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -766.980104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.980104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.980104 (E_RNA) where: Base-Base interactions energy: -465.902 where: short stacking energy: -232.211 Base-Backbone interact. energy: -0.580 local terms energy: -300.498015 where: bonds (distance) C4'-P energy: -76.940 bonds (distance) P-C4' energy: -69.126 flat angles C4'-P-C4' energy: -79.027 flat angles P-C4'-P energy: -45.600 tors. eta vs tors. theta energy: -29.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -677.397914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.397914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.397914 (E_RNA) where: Base-Base interactions energy: -399.880 where: short stacking energy: -191.631 Base-Backbone interact. energy: 1.290 local terms energy: -278.807304 where: bonds (distance) C4'-P energy: -66.927 bonds (distance) P-C4' energy: -83.176 flat angles C4'-P-C4' energy: -60.942 flat angles P-C4'-P energy: -44.954 tors. eta vs tors. theta energy: -22.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1722.171772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.171772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.171772 (E_RNA) where: Base-Base interactions energy: -1177.582 where: short stacking energy: -530.683 Base-Backbone interact. energy: 0.140 local terms energy: -544.729942 where: bonds (distance) C4'-P energy: -88.431 bonds (distance) P-C4' energy: -101.610 flat angles C4'-P-C4' energy: -111.310 flat angles P-C4'-P energy: -81.740 tors. eta vs tors. theta energy: -161.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1662.585891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.585891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.585891 (E_RNA) where: Base-Base interactions energy: -1157.617 where: short stacking energy: -495.274 Base-Backbone interact. energy: -1.749 local terms energy: -503.220065 where: bonds (distance) C4'-P energy: -91.881 bonds (distance) P-C4' energy: -95.120 flat angles C4'-P-C4' energy: -108.805 flat angles P-C4'-P energy: -57.944 tors. eta vs tors. theta energy: -149.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1625.995184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.995184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.995184 (E_RNA) where: Base-Base interactions energy: -1100.395 where: short stacking energy: -457.853 Base-Backbone interact. energy: -3.250 local terms energy: -522.349838 where: bonds (distance) C4'-P energy: -97.778 bonds (distance) P-C4' energy: -98.129 flat angles C4'-P-C4' energy: -108.469 flat angles P-C4'-P energy: -80.252 tors. eta vs tors. theta energy: -137.722 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: 2 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1545.254216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.254216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.254216 (E_RNA) where: Base-Base interactions energy: -1053.030 where: short stacking energy: -450.927 Base-Backbone interact. energy: -1.089 local terms energy: -491.134962 where: bonds (distance) C4'-P energy: -87.676 bonds (distance) P-C4' energy: -97.053 flat angles C4'-P-C4' energy: -98.770 flat angles P-C4'-P energy: -68.816 tors. eta vs tors. theta energy: -138.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1462.804988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.804988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.804988 (E_RNA) where: Base-Base interactions energy: -1014.147 where: short stacking energy: -429.305 Base-Backbone interact. energy: -2.794 local terms energy: -445.863456 where: bonds (distance) C4'-P energy: -78.919 bonds (distance) P-C4' energy: -81.058 flat angles C4'-P-C4' energy: -109.413 flat angles P-C4'-P energy: -63.596 tors. eta vs tors. theta energy: -112.878 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: 7 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1213.093004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.093004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.093004 (E_RNA) where: Base-Base interactions energy: -801.123 where: short stacking energy: -360.733 Base-Backbone interact. energy: -0.561 local terms energy: -411.409381 where: bonds (distance) C4'-P energy: -93.017 bonds (distance) P-C4' energy: -62.987 flat angles C4'-P-C4' energy: -92.342 flat angles P-C4'-P energy: -57.963 tors. eta vs tors. theta energy: -105.101 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: 5 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1132.532206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.532206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.532206 (E_RNA) where: Base-Base interactions energy: -725.388 where: short stacking energy: -312.821 Base-Backbone interact. energy: -2.829 local terms energy: -404.315316 where: bonds (distance) C4'-P energy: -81.835 bonds (distance) P-C4' energy: -86.287 flat angles C4'-P-C4' energy: -94.365 flat angles P-C4'-P energy: -68.507 tors. eta vs tors. theta energy: -73.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -723.770012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.770012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.770012 (E_RNA) where: Base-Base interactions energy: -417.102 where: short stacking energy: -201.845 Base-Backbone interact. energy: -3.068 local terms energy: -303.600047 where: bonds (distance) C4'-P energy: -57.380 bonds (distance) P-C4' energy: -81.801 flat angles C4'-P-C4' energy: -91.676 flat angles P-C4'-P energy: -46.761 tors. eta vs tors. theta energy: -25.982 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: 9 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -725.753189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.753189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.753189 (E_RNA) where: Base-Base interactions energy: -440.206 where: short stacking energy: -221.525 Base-Backbone interact. energy: 3.468 local terms energy: -289.015144 where: bonds (distance) C4'-P energy: -76.081 bonds (distance) P-C4' energy: -80.035 flat angles C4'-P-C4' energy: -79.436 flat angles P-C4'-P energy: -35.920 tors. eta vs tors. theta energy: -17.543 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: 10, replica: 1 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -670.562184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.562184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.562184 (E_RNA) where: Base-Base interactions energy: -397.847 where: short stacking energy: -196.297 Base-Backbone interact. energy: 4.545 local terms energy: -277.259774 where: bonds (distance) C4'-P energy: -80.080 bonds (distance) P-C4' energy: -77.311 flat angles C4'-P-C4' energy: -63.812 flat angles P-C4'-P energy: -43.555 tors. eta vs tors. theta energy: -12.502 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: 1, replica: 6 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1739.928797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.928797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.928797 (E_RNA) where: Base-Base interactions energy: -1196.658 where: short stacking energy: -546.500 Base-Backbone interact. energy: 0.197 local terms energy: -543.467800 where: bonds (distance) C4'-P energy: -88.806 bonds (distance) P-C4' energy: -97.336 flat angles C4'-P-C4' energy: -111.820 flat angles P-C4'-P energy: -83.450 tors. eta vs tors. theta energy: -162.056 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: 218 Temperature: 0.950000 Total energy: -1656.885696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.885696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.885696 (E_RNA) where: Base-Base interactions energy: -1132.415 where: short stacking energy: -481.683 Base-Backbone interact. energy: -0.942 local terms energy: -523.528767 where: bonds (distance) C4'-P energy: -88.614 bonds (distance) P-C4' energy: -97.298 flat angles C4'-P-C4' energy: -108.403 flat angles P-C4'-P energy: -85.019 tors. eta vs tors. theta energy: -144.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1627.753877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.753877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.753877 (E_RNA) where: Base-Base interactions energy: -1120.240 where: short stacking energy: -460.286 Base-Backbone interact. energy: -2.169 local terms energy: -505.344366 where: bonds (distance) C4'-P energy: -98.001 bonds (distance) P-C4' energy: -102.089 flat angles C4'-P-C4' energy: -98.220 flat angles P-C4'-P energy: -78.955 tors. eta vs tors. theta energy: -128.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1537.668425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.668425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.668425 (E_RNA) where: Base-Base interactions energy: -1028.075 where: short stacking energy: -459.094 Base-Backbone interact. energy: 0.051 local terms energy: -509.644370 where: bonds (distance) C4'-P energy: -87.619 bonds (distance) P-C4' energy: -96.834 flat angles C4'-P-C4' energy: -100.050 flat angles P-C4'-P energy: -72.823 tors. eta vs tors. theta energy: -152.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1430.878961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.878961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.878961 (E_RNA) where: Base-Base interactions energy: -974.737 where: short stacking energy: -397.833 Base-Backbone interact. energy: -4.331 local terms energy: -451.810890 where: bonds (distance) C4'-P energy: -84.207 bonds (distance) P-C4' energy: -84.757 flat angles C4'-P-C4' energy: -102.912 flat angles P-C4'-P energy: -65.651 tors. eta vs tors. theta energy: -114.283 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: 6, replica: 7 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1203.223053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.223053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.223053 (E_RNA) where: Base-Base interactions energy: -817.987 where: short stacking energy: -352.210 Base-Backbone interact. energy: -1.857 local terms energy: -383.379128 where: bonds (distance) C4'-P energy: -83.373 bonds (distance) P-C4' energy: -90.191 flat angles C4'-P-C4' energy: -82.096 flat angles P-C4'-P energy: -51.238 tors. eta vs tors. theta energy: -76.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1191.959457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.959457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.959457 (E_RNA) where: Base-Base interactions energy: -787.085 where: short stacking energy: -365.279 Base-Backbone interact. energy: -1.147 local terms energy: -403.727861 where: bonds (distance) C4'-P energy: -75.150 bonds (distance) P-C4' energy: -86.496 flat angles C4'-P-C4' energy: -106.105 flat angles P-C4'-P energy: -49.525 tors. eta vs tors. theta energy: -86.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -739.811601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.811601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.811601 (E_RNA) where: Base-Base interactions energy: -412.612 where: short stacking energy: -209.944 Base-Backbone interact. energy: -0.437 local terms energy: -326.761986 where: bonds (distance) C4'-P energy: -83.590 bonds (distance) P-C4' energy: -87.154 flat angles C4'-P-C4' energy: -89.341 flat angles P-C4'-P energy: -46.506 tors. eta vs tors. theta energy: -20.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -771.071087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.071087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.071087 (E_RNA) where: Base-Base interactions energy: -467.892 where: short stacking energy: -220.221 Base-Backbone interact. energy: -0.735 local terms energy: -302.444256 where: bonds (distance) C4'-P energy: -79.542 bonds (distance) P-C4' energy: -80.903 flat angles C4'-P-C4' energy: -66.815 flat angles P-C4'-P energy: -39.436 tors. eta vs tors. theta energy: -35.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -695.852926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.852926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.852926 (E_RNA) where: Base-Base interactions energy: -408.756 where: short stacking energy: -217.580 Base-Backbone interact. energy: -1.486 local terms energy: -285.610768 where: bonds (distance) C4'-P energy: -73.486 bonds (distance) P-C4' energy: -75.795 flat angles C4'-P-C4' energy: -80.501 flat angles P-C4'-P energy: -31.363 tors. eta vs tors. theta energy: -24.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1735.881186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.881186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.881186 (E_RNA) where: Base-Base interactions energy: -1192.490 where: short stacking energy: -520.603 Base-Backbone interact. energy: -0.880 local terms energy: -542.510769 where: bonds (distance) C4'-P energy: -95.948 bonds (distance) P-C4' energy: -98.653 flat angles C4'-P-C4' energy: -118.128 flat angles P-C4'-P energy: -70.328 tors. eta vs tors. theta energy: -159.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1645.937035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.937035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.937035 (E_RNA) where: Base-Base interactions energy: -1164.376 where: short stacking energy: -485.467 Base-Backbone interact. energy: -2.054 local terms energy: -479.507589 where: bonds (distance) C4'-P energy: -75.668 bonds (distance) P-C4' energy: -90.222 flat angles C4'-P-C4' energy: -108.489 flat angles P-C4'-P energy: -69.568 tors. eta vs tors. theta energy: -135.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1619.940049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.940049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.940049 (E_RNA) where: Base-Base interactions energy: -1113.302 where: short stacking energy: -489.333 Base-Backbone interact. energy: -2.332 local terms energy: -504.306542 where: bonds (distance) C4'-P energy: -77.409 bonds (distance) P-C4' energy: -103.511 flat angles C4'-P-C4' energy: -104.819 flat angles P-C4'-P energy: -68.871 tors. eta vs tors. theta energy: -149.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1537.586341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.586341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.586341 (E_RNA) where: Base-Base interactions energy: -1034.785 where: short stacking energy: -463.718 Base-Backbone interact. energy: -1.815 local terms energy: -500.986149 where: bonds (distance) C4'-P energy: -89.544 bonds (distance) P-C4' energy: -92.323 flat angles C4'-P-C4' energy: -101.846 flat angles P-C4'-P energy: -72.228 tors. eta vs tors. theta energy: -145.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1434.130966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.130966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.130966 (E_RNA) where: Base-Base interactions energy: -1006.876 where: short stacking energy: -414.604 Base-Backbone interact. energy: -1.826 local terms energy: -425.428962 where: bonds (distance) C4'-P energy: -70.778 bonds (distance) P-C4' energy: -86.547 flat angles C4'-P-C4' energy: -104.288 flat angles P-C4'-P energy: -54.359 tors. eta vs tors. theta energy: -109.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1183.268095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.268095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.268095 (E_RNA) where: Base-Base interactions energy: -811.066 where: short stacking energy: -369.589 Base-Backbone interact. energy: -2.070 local terms energy: -370.132569 where: bonds (distance) C4'-P energy: -79.707 bonds (distance) P-C4' energy: -61.510 flat angles C4'-P-C4' energy: -102.765 flat angles P-C4'-P energy: -51.699 tors. eta vs tors. theta energy: -74.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1198.944672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.944672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.944672 (E_RNA) where: Base-Base interactions energy: -809.243 where: short stacking energy: -329.414 Base-Backbone interact. energy: -1.291 local terms energy: -388.409709 where: bonds (distance) C4'-P energy: -73.241 bonds (distance) P-C4' energy: -86.597 flat angles C4'-P-C4' energy: -98.656 flat angles P-C4'-P energy: -54.627 tors. eta vs tors. theta energy: -75.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -852.820955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.820955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.820955 (E_RNA) where: Base-Base interactions energy: -533.192 where: short stacking energy: -241.792 Base-Backbone interact. energy: 0.898 local terms energy: -320.526839 where: bonds (distance) C4'-P energy: -87.253 bonds (distance) P-C4' energy: -68.656 flat angles C4'-P-C4' energy: -82.431 flat angles P-C4'-P energy: -46.623 tors. eta vs tors. theta energy: -35.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -603.985821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.985821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.985821 (E_RNA) where: Base-Base interactions energy: -320.580 where: short stacking energy: -148.439 Base-Backbone interact. energy: -1.457 local terms energy: -281.949339 where: bonds (distance) C4'-P energy: -73.820 bonds (distance) P-C4' energy: -88.982 flat angles C4'-P-C4' energy: -88.101 flat angles P-C4'-P energy: -32.943 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: 1 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -729.872139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.872139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.872139 (E_RNA) where: Base-Base interactions energy: -448.444 where: short stacking energy: -220.670 Base-Backbone interact. energy: -1.347 local terms energy: -280.080478 where: bonds (distance) C4'-P energy: -64.458 bonds (distance) P-C4' energy: -72.881 flat angles C4'-P-C4' energy: -61.132 flat angles P-C4'-P energy: -41.487 tors. eta vs tors. theta energy: -40.122 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: 6 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1724.152932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.152932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.152932 (E_RNA) where: Base-Base interactions energy: -1175.204 where: short stacking energy: -544.527 Base-Backbone interact. energy: -0.167 local terms energy: -548.781684 where: bonds (distance) C4'-P energy: -86.347 bonds (distance) P-C4' energy: -101.341 flat angles C4'-P-C4' energy: -115.075 flat angles P-C4'-P energy: -87.087 tors. eta vs tors. theta energy: -158.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1649.760402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.760402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.760402 (E_RNA) where: Base-Base interactions energy: -1140.707 where: short stacking energy: -487.420 Base-Backbone interact. energy: -0.255 local terms energy: -508.798765 where: bonds (distance) C4'-P energy: -95.349 bonds (distance) P-C4' energy: -88.252 flat angles C4'-P-C4' energy: -106.463 flat angles P-C4'-P energy: -76.270 tors. eta vs tors. theta energy: -142.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1633.353572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.353572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.353572 (E_RNA) where: Base-Base interactions energy: -1127.610 where: short stacking energy: -492.896 Base-Backbone interact. energy: -0.293 local terms energy: -505.450590 where: bonds (distance) C4'-P energy: -93.578 bonds (distance) P-C4' energy: -96.988 flat angles C4'-P-C4' energy: -105.638 flat angles P-C4'-P energy: -66.931 tors. eta vs tors. theta energy: -142.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1554.374109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.374109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.374109 (E_RNA) where: Base-Base interactions energy: -1060.160 where: short stacking energy: -464.176 Base-Backbone interact. energy: -2.105 local terms energy: -492.108883 where: bonds (distance) C4'-P energy: -83.921 bonds (distance) P-C4' energy: -106.012 flat angles C4'-P-C4' energy: -99.489 flat angles P-C4'-P energy: -66.735 tors. eta vs tors. theta energy: -135.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1518.508153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.508153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.508153 (E_RNA) where: Base-Base interactions energy: -1072.817 where: short stacking energy: -446.687 Base-Backbone interact. energy: 1.091 local terms energy: -446.781856 where: bonds (distance) C4'-P energy: -63.160 bonds (distance) P-C4' energy: -88.685 flat angles C4'-P-C4' energy: -102.452 flat angles P-C4'-P energy: -70.449 tors. eta vs tors. theta energy: -122.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1200.807606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.807606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.807606 (E_RNA) where: Base-Base interactions energy: -797.708 where: short stacking energy: -347.398 Base-Backbone interact. energy: -0.455 local terms energy: -402.645072 where: bonds (distance) C4'-P energy: -80.181 bonds (distance) P-C4' energy: -94.427 flat angles C4'-P-C4' energy: -88.088 flat angles P-C4'-P energy: -60.505 tors. eta vs tors. theta energy: -79.444 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: 7 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1186.066663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.066663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.066663 (E_RNA) where: Base-Base interactions energy: -783.559 where: short stacking energy: -344.541 Base-Backbone interact. energy: 1.107 local terms energy: -403.614300 where: bonds (distance) C4'-P energy: -87.120 bonds (distance) P-C4' energy: -87.891 flat angles C4'-P-C4' energy: -75.849 flat angles P-C4'-P energy: -62.964 tors. eta vs tors. theta energy: -89.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -796.973361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.973361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.973361 (E_RNA) where: Base-Base interactions energy: -483.858 where: short stacking energy: -238.026 Base-Backbone interact. energy: 6.189 local terms energy: -319.303605 where: bonds (distance) C4'-P energy: -87.105 bonds (distance) P-C4' energy: -78.264 flat angles C4'-P-C4' energy: -80.231 flat angles P-C4'-P energy: -41.485 tors. eta vs tors. theta energy: -32.218 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: 1 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -774.160191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.160191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.160191 (E_RNA) where: Base-Base interactions energy: -463.867 where: short stacking energy: -224.425 Base-Backbone interact. energy: 2.755 local terms energy: -313.048342 where: bonds (distance) C4'-P energy: -77.046 bonds (distance) P-C4' energy: -76.156 flat angles C4'-P-C4' energy: -93.364 flat angles P-C4'-P energy: -42.601 tors. eta vs tors. theta energy: -23.882 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: 3 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -558.235551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.235551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.235551 (E_RNA) where: Base-Base interactions energy: -260.180 where: short stacking energy: -153.091 Base-Backbone interact. energy: -1.844 local terms energy: -296.211263 where: bonds (distance) C4'-P energy: -82.177 bonds (distance) P-C4' energy: -85.761 flat angles C4'-P-C4' energy: -69.120 flat angles P-C4'-P energy: -48.947 tors. eta vs tors. theta energy: -10.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1733.294541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.294541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.294541 (E_RNA) where: Base-Base interactions energy: -1196.055 where: short stacking energy: -549.033 Base-Backbone interact. energy: 0.266 local terms energy: -537.505868 where: bonds (distance) C4'-P energy: -84.543 bonds (distance) P-C4' energy: -96.827 flat angles C4'-P-C4' energy: -110.119 flat angles P-C4'-P energy: -79.740 tors. eta vs tors. theta energy: -166.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1670.702595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.702595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.702595 (E_RNA) where: Base-Base interactions energy: -1154.933 where: short stacking energy: -488.981 Base-Backbone interact. energy: -1.826 local terms energy: -513.944077 where: bonds (distance) C4'-P energy: -94.312 bonds (distance) P-C4' energy: -97.207 flat angles C4'-P-C4' energy: -104.851 flat angles P-C4'-P energy: -69.028 tors. eta vs tors. theta energy: -148.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1626.999665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.999665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.999665 (E_RNA) where: Base-Base interactions energy: -1107.700 where: short stacking energy: -486.604 Base-Backbone interact. energy: -1.392 local terms energy: -517.907601 where: bonds (distance) C4'-P energy: -90.156 bonds (distance) P-C4' energy: -101.263 flat angles C4'-P-C4' energy: -108.272 flat angles P-C4'-P energy: -65.942 tors. eta vs tors. theta energy: -152.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1553.634815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.634815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.634815 (E_RNA) where: Base-Base interactions energy: -1064.838 where: short stacking energy: -476.506 Base-Backbone interact. energy: -2.042 local terms energy: -486.754710 where: bonds (distance) C4'-P energy: -82.822 bonds (distance) P-C4' energy: -85.519 flat angles C4'-P-C4' energy: -96.585 flat angles P-C4'-P energy: -71.203 tors. eta vs tors. theta energy: -150.625 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: 4 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1428.853992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.853992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.853992 (E_RNA) where: Base-Base interactions energy: -996.100 where: short stacking energy: -392.344 Base-Backbone interact. energy: 0.140 local terms energy: -432.893263 where: bonds (distance) C4'-P energy: -88.267 bonds (distance) P-C4' energy: -86.566 flat angles C4'-P-C4' energy: -100.882 flat angles P-C4'-P energy: -62.684 tors. eta vs tors. theta energy: -94.495 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: 221 Temperature: 1.150000 Total energy: -1255.813722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.813722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.813722 (E_RNA) where: Base-Base interactions energy: -837.042 where: short stacking energy: -358.355 Base-Backbone interact. energy: -0.373 local terms energy: -418.398357 where: bonds (distance) C4'-P energy: -87.230 bonds (distance) P-C4' energy: -85.970 flat angles C4'-P-C4' energy: -96.811 flat angles P-C4'-P energy: -64.207 tors. eta vs tors. theta energy: -84.181 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: 5 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1191.039695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.039695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.039695 (E_RNA) where: Base-Base interactions energy: -767.615 where: short stacking energy: -359.492 Base-Backbone interact. energy: -1.953 local terms energy: -421.472417 where: bonds (distance) C4'-P energy: -85.657 bonds (distance) P-C4' energy: -89.284 flat angles C4'-P-C4' energy: -103.254 flat angles P-C4'-P energy: -62.069 tors. eta vs tors. theta energy: -81.209 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: 9 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -839.262080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.262080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.262080 (E_RNA) where: Base-Base interactions energy: -495.548 where: short stacking energy: -240.898 Base-Backbone interact. energy: -0.547 local terms energy: -343.166784 where: bonds (distance) C4'-P energy: -79.405 bonds (distance) P-C4' energy: -93.678 flat angles C4'-P-C4' energy: -79.236 flat angles P-C4'-P energy: -51.188 tors. eta vs tors. theta energy: -39.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -708.981270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.981270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.981270 (E_RNA) where: Base-Base interactions energy: -417.674 where: short stacking energy: -202.030 Base-Backbone interact. energy: 0.506 local terms energy: -291.813966 where: bonds (distance) C4'-P energy: -74.840 bonds (distance) P-C4' energy: -79.706 flat angles C4'-P-C4' energy: -75.978 flat angles P-C4'-P energy: -40.864 tors. eta vs tors. theta energy: -20.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -564.646711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.646711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.646711 (E_RNA) where: Base-Base interactions energy: -295.188 where: short stacking energy: -172.251 Base-Backbone interact. energy: -1.436 local terms energy: -268.022351 where: bonds (distance) C4'-P energy: -90.899 bonds (distance) P-C4' energy: -84.826 flat angles C4'-P-C4' energy: -55.296 flat angles P-C4'-P energy: -37.057 tors. eta vs tors. theta energy: 0.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1739.867145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.867145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.867145 (E_RNA) where: Base-Base interactions energy: -1165.267 where: short stacking energy: -520.352 Base-Backbone interact. energy: -0.669 local terms energy: -573.931507 where: bonds (distance) C4'-P energy: -105.185 bonds (distance) P-C4' energy: -107.946 flat angles C4'-P-C4' energy: -110.880 flat angles P-C4'-P energy: -87.706 tors. eta vs tors. theta energy: -162.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1676.654239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.654239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.654239 (E_RNA) where: Base-Base interactions energy: -1163.568 where: short stacking energy: -475.816 Base-Backbone interact. energy: -3.271 local terms energy: -509.815406 where: bonds (distance) C4'-P energy: -83.636 bonds (distance) P-C4' energy: -102.493 flat angles C4'-P-C4' energy: -115.624 flat angles P-C4'-P energy: -77.059 tors. eta vs tors. theta energy: -131.003 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: 8 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1638.090952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.090952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.090952 (E_RNA) where: Base-Base interactions energy: -1147.235 where: short stacking energy: -508.635 Base-Backbone interact. energy: 0.855 local terms energy: -491.711520 where: bonds (distance) C4'-P energy: -80.374 bonds (distance) P-C4' energy: -102.533 flat angles C4'-P-C4' energy: -110.049 flat angles P-C4'-P energy: -53.280 tors. eta vs tors. theta energy: -145.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1501.199613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.199613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.199613 (E_RNA) where: Base-Base interactions energy: -1024.873 where: short stacking energy: -435.851 Base-Backbone interact. energy: 3.247 local terms energy: -479.573487 where: bonds (distance) C4'-P energy: -92.510 bonds (distance) P-C4' energy: -80.454 flat angles C4'-P-C4' energy: -108.679 flat angles P-C4'-P energy: -69.894 tors. eta vs tors. theta energy: -128.037 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: 4 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1418.529909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.529909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.529909 (E_RNA) where: Base-Base interactions energy: -990.907 where: short stacking energy: -389.044 Base-Backbone interact. energy: -3.355 local terms energy: -424.267735 where: bonds (distance) C4'-P energy: -94.600 bonds (distance) P-C4' energy: -90.020 flat angles C4'-P-C4' energy: -89.100 flat angles P-C4'-P energy: -59.255 tors. eta vs tors. theta energy: -91.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1278.996970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.996970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.996970 (E_RNA) where: Base-Base interactions energy: -864.904 where: short stacking energy: -388.811 Base-Backbone interact. energy: -1.670 local terms energy: -412.422316 where: bonds (distance) C4'-P energy: -57.448 bonds (distance) P-C4' energy: -81.077 flat angles C4'-P-C4' energy: -98.792 flat angles P-C4'-P energy: -70.186 tors. eta vs tors. theta energy: -104.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1154.086919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.086919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.086919 (E_RNA) where: Base-Base interactions energy: -775.527 where: short stacking energy: -320.830 Base-Backbone interact. energy: -2.858 local terms energy: -375.701677 where: bonds (distance) C4'-P energy: -89.712 bonds (distance) P-C4' energy: -79.838 flat angles C4'-P-C4' energy: -91.652 flat angles P-C4'-P energy: -55.534 tors. eta vs tors. theta energy: -58.965 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: 9 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -781.622950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.622950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.622950 (E_RNA) where: Base-Base interactions energy: -448.293 where: short stacking energy: -211.221 Base-Backbone interact. energy: 2.019 local terms energy: -335.348676 where: bonds (distance) C4'-P energy: -84.181 bonds (distance) P-C4' energy: -90.938 flat angles C4'-P-C4' energy: -79.852 flat angles P-C4'-P energy: -45.504 tors. eta vs tors. theta energy: -34.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -698.215573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.215573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.215573 (E_RNA) where: Base-Base interactions energy: -391.596 where: short stacking energy: -188.835 Base-Backbone interact. energy: 1.259 local terms energy: -307.878805 where: bonds (distance) C4'-P energy: -78.933 bonds (distance) P-C4' energy: -93.413 flat angles C4'-P-C4' energy: -56.665 flat angles P-C4'-P energy: -55.505 tors. eta vs tors. theta energy: -23.362 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: 3 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -547.130077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.130077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.130077 (E_RNA) where: Base-Base interactions energy: -281.521 where: short stacking energy: -164.239 Base-Backbone interact. energy: 2.841 local terms energy: -268.449977 where: bonds (distance) C4'-P energy: -79.112 bonds (distance) P-C4' energy: -90.759 flat angles C4'-P-C4' energy: -56.864 flat angles P-C4'-P energy: -29.240 tors. eta vs tors. theta energy: -12.476 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: 6 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1716.301031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.301031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.301031 (E_RNA) where: Base-Base interactions energy: -1189.519 where: short stacking energy: -517.853 Base-Backbone interact. energy: -0.884 local terms energy: -525.897508 where: bonds (distance) C4'-P energy: -90.704 bonds (distance) P-C4' energy: -96.835 flat angles C4'-P-C4' energy: -115.186 flat angles P-C4'-P energy: -67.784 tors. eta vs tors. theta energy: -155.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1657.069928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.069928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.069928 (E_RNA) where: Base-Base interactions energy: -1163.677 where: short stacking energy: -505.144 Base-Backbone interact. energy: -0.975 local terms energy: -492.418030 where: bonds (distance) C4'-P energy: -82.719 bonds (distance) P-C4' energy: -86.020 flat angles C4'-P-C4' energy: -109.798 flat angles P-C4'-P energy: -74.227 tors. eta vs tors. theta energy: -139.654 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: 8 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1616.453038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.453038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.453038 (E_RNA) where: Base-Base interactions energy: -1102.972 where: short stacking energy: -491.923 Base-Backbone interact. energy: -1.453 local terms energy: -512.027658 where: bonds (distance) C4'-P energy: -97.356 bonds (distance) P-C4' energy: -95.992 flat angles C4'-P-C4' energy: -114.238 flat angles P-C4'-P energy: -64.823 tors. eta vs tors. theta energy: -139.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1511.422663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.422663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.422663 (E_RNA) where: Base-Base interactions energy: -1026.463 where: short stacking energy: -438.104 Base-Backbone interact. energy: 0.609 local terms energy: -485.568313 where: bonds (distance) C4'-P energy: -105.789 bonds (distance) P-C4' energy: -101.178 flat angles C4'-P-C4' energy: -88.002 flat angles P-C4'-P energy: -66.321 tors. eta vs tors. theta energy: -124.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1424.692010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.692010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.692010 (E_RNA) where: Base-Base interactions energy: -1005.204 where: short stacking energy: -416.039 Base-Backbone interact. energy: -4.779 local terms energy: -414.708562 where: bonds (distance) C4'-P energy: -76.979 bonds (distance) P-C4' energy: -77.531 flat angles C4'-P-C4' energy: -90.484 flat angles P-C4'-P energy: -62.935 tors. eta vs tors. theta energy: -106.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1232.405097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.405097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.405097 (E_RNA) where: Base-Base interactions energy: -835.700 where: short stacking energy: -373.926 Base-Backbone interact. energy: 0.501 local terms energy: -397.206081 where: bonds (distance) C4'-P energy: -63.066 bonds (distance) P-C4' energy: -86.828 flat angles C4'-P-C4' energy: -104.802 flat angles P-C4'-P energy: -51.819 tors. eta vs tors. theta energy: -90.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1070.732849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.732849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.732849 (E_RNA) where: Base-Base interactions energy: -709.805 where: short stacking energy: -305.530 Base-Backbone interact. energy: -1.494 local terms energy: -359.434179 where: bonds (distance) C4'-P energy: -92.655 bonds (distance) P-C4' energy: -84.282 flat angles C4'-P-C4' energy: -85.058 flat angles P-C4'-P energy: -41.507 tors. eta vs tors. theta energy: -55.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -814.114165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.114165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.114165 (E_RNA) where: Base-Base interactions energy: -476.667 where: short stacking energy: -238.203 Base-Backbone interact. energy: 2.520 local terms energy: -339.967509 where: bonds (distance) C4'-P energy: -77.987 bonds (distance) P-C4' energy: -79.960 flat angles C4'-P-C4' energy: -93.988 flat angles P-C4'-P energy: -48.493 tors. eta vs tors. theta energy: -39.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -730.816912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.816912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.816912 (E_RNA) where: Base-Base interactions energy: -397.464 where: short stacking energy: -205.855 Base-Backbone interact. energy: 4.746 local terms energy: -338.098562 where: bonds (distance) C4'-P energy: -75.226 bonds (distance) P-C4' energy: -83.516 flat angles C4'-P-C4' energy: -91.154 flat angles P-C4'-P energy: -62.696 tors. eta vs tors. theta energy: -25.507 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: 3 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -567.621357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.621357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.621357 (E_RNA) where: Base-Base interactions energy: -319.755 where: short stacking energy: -171.925 Base-Backbone interact. energy: 2.793 local terms energy: -250.659571 where: bonds (distance) C4'-P energy: -75.745 bonds (distance) P-C4' energy: -75.813 flat angles C4'-P-C4' energy: -64.749 flat angles P-C4'-P energy: -29.057 tors. eta vs tors. theta energy: -5.295 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: 6 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1721.725189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.725189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.725189 (E_RNA) where: Base-Base interactions energy: -1159.145 where: short stacking energy: -501.122 Base-Backbone interact. energy: -1.305 local terms energy: -561.275773 where: bonds (distance) C4'-P energy: -99.857 bonds (distance) P-C4' energy: -110.397 flat angles C4'-P-C4' energy: -113.740 flat angles P-C4'-P energy: -79.590 tors. eta vs tors. theta energy: -157.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1622.681009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.681009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.681009 (E_RNA) where: Base-Base interactions energy: -1133.301 where: short stacking energy: -481.791 Base-Backbone interact. energy: -0.085 local terms energy: -489.295176 where: bonds (distance) C4'-P energy: -84.086 bonds (distance) P-C4' energy: -85.162 flat angles C4'-P-C4' energy: -115.868 flat angles P-C4'-P energy: -71.499 tors. eta vs tors. theta energy: -132.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1620.144378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.144378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.144378 (E_RNA) where: Base-Base interactions energy: -1140.980 where: short stacking energy: -494.643 Base-Backbone interact. energy: 2.578 local terms energy: -481.742318 where: bonds (distance) C4'-P energy: -82.962 bonds (distance) P-C4' energy: -90.978 flat angles C4'-P-C4' energy: -105.324 flat angles P-C4'-P energy: -69.543 tors. eta vs tors. theta energy: -132.936 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: 2 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1526.676889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.676889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.676889 (E_RNA) where: Base-Base interactions energy: -1050.923 where: short stacking energy: -431.839 Base-Backbone interact. energy: -2.523 local terms energy: -473.230348 where: bonds (distance) C4'-P energy: -95.602 bonds (distance) P-C4' energy: -85.252 flat angles C4'-P-C4' energy: -107.083 flat angles P-C4'-P energy: -67.545 tors. eta vs tors. theta energy: -117.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1420.969040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.969040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.969040 (E_RNA) where: Base-Base interactions energy: -1032.969 where: short stacking energy: -415.571 Base-Backbone interact. energy: 3.226 local terms energy: -391.226526 where: bonds (distance) C4'-P energy: -87.435 bonds (distance) P-C4' energy: -85.203 flat angles C4'-P-C4' energy: -80.063 flat angles P-C4'-P energy: -41.216 tors. eta vs tors. theta energy: -97.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1278.401894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.401894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.401894 (E_RNA) where: Base-Base interactions energy: -820.465 where: short stacking energy: -356.123 Base-Backbone interact. energy: -1.443 local terms energy: -456.494313 where: bonds (distance) C4'-P energy: -107.030 bonds (distance) P-C4' energy: -97.023 flat angles C4'-P-C4' energy: -101.464 flat angles P-C4'-P energy: -64.994 tors. eta vs tors. theta energy: -85.983 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: 5 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1099.490012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.490012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.490012 (E_RNA) where: Base-Base interactions energy: -735.483 where: short stacking energy: -320.072 Base-Backbone interact. energy: 4.580 local terms energy: -368.586192 where: bonds (distance) C4'-P energy: -75.483 bonds (distance) P-C4' energy: -87.535 flat angles C4'-P-C4' energy: -86.276 flat angles P-C4'-P energy: -54.048 tors. eta vs tors. theta energy: -65.244 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: 9 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -749.672465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.672465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.672465 (E_RNA) where: Base-Base interactions energy: -443.306 where: short stacking energy: -251.044 Base-Backbone interact. energy: -0.835 local terms energy: -305.531614 where: bonds (distance) C4'-P energy: -81.971 bonds (distance) P-C4' energy: -60.272 flat angles C4'-P-C4' energy: -72.661 flat angles P-C4'-P energy: -55.567 tors. eta vs tors. theta energy: -35.060 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: 1 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -715.586081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.586081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.586081 (E_RNA) where: Base-Base interactions energy: -402.852 where: short stacking energy: -210.673 Base-Backbone interact. energy: 2.152 local terms energy: -314.885267 where: bonds (distance) C4'-P energy: -69.901 bonds (distance) P-C4' energy: -82.687 flat angles C4'-P-C4' energy: -81.487 flat angles P-C4'-P energy: -47.375 tors. eta vs tors. theta energy: -33.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -507.913381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.913381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.913381 (E_RNA) where: Base-Base interactions energy: -245.907 where: short stacking energy: -145.163 Base-Backbone interact. energy: -2.129 local terms energy: -259.876998 where: bonds (distance) C4'-P energy: -76.507 bonds (distance) P-C4' energy: -73.327 flat angles C4'-P-C4' energy: -61.243 flat angles P-C4'-P energy: -54.505 tors. eta vs tors. theta energy: 5.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1733.882856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.882856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.882856 (E_RNA) where: Base-Base interactions energy: -1177.153 where: short stacking energy: -546.222 Base-Backbone interact. energy: -1.540 local terms energy: -555.189493 where: bonds (distance) C4'-P energy: -95.711 bonds (distance) P-C4' energy: -96.442 flat angles C4'-P-C4' energy: -113.599 flat angles P-C4'-P energy: -83.798 tors. eta vs tors. theta energy: -165.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1638.783033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.783033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.783033 (E_RNA) where: Base-Base interactions energy: -1132.216 where: short stacking energy: -476.094 Base-Backbone interact. energy: 3.601 local terms energy: -510.167963 where: bonds (distance) C4'-P energy: -87.379 bonds (distance) P-C4' energy: -100.811 flat angles C4'-P-C4' energy: -113.015 flat angles P-C4'-P energy: -73.769 tors. eta vs tors. theta energy: -135.194 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: 8 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1626.303824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.303824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.303824 (E_RNA) where: Base-Base interactions energy: -1136.874 where: short stacking energy: -495.013 Base-Backbone interact. energy: -0.029 local terms energy: -489.399930 where: bonds (distance) C4'-P energy: -79.860 bonds (distance) P-C4' energy: -90.211 flat angles C4'-P-C4' energy: -107.532 flat angles P-C4'-P energy: -62.051 tors. eta vs tors. theta energy: -149.746 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: 2 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1545.838490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.838490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.838490 (E_RNA) where: Base-Base interactions energy: -1083.981 where: short stacking energy: -459.683 Base-Backbone interact. energy: -0.407 local terms energy: -461.451361 where: bonds (distance) C4'-P energy: -78.382 bonds (distance) P-C4' energy: -94.279 flat angles C4'-P-C4' energy: -95.453 flat angles P-C4'-P energy: -59.441 tors. eta vs tors. theta energy: -133.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1420.706947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.706947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.706947 (E_RNA) where: Base-Base interactions energy: -978.772 where: short stacking energy: -391.531 Base-Backbone interact. energy: 0.548 local terms energy: -442.482365 where: bonds (distance) C4'-P energy: -90.698 bonds (distance) P-C4' energy: -89.697 flat angles C4'-P-C4' energy: -100.747 flat angles P-C4'-P energy: -59.086 tors. eta vs tors. theta energy: -102.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1282.070321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.070321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.070321 (E_RNA) where: Base-Base interactions energy: -875.657 where: short stacking energy: -371.470 Base-Backbone interact. energy: -0.540 local terms energy: -405.873485 where: bonds (distance) C4'-P energy: -93.661 bonds (distance) P-C4' energy: -87.766 flat angles C4'-P-C4' energy: -78.889 flat angles P-C4'-P energy: -52.399 tors. eta vs tors. theta energy: -93.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1126.401541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.401541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.401541 (E_RNA) where: Base-Base interactions energy: -736.396 where: short stacking energy: -330.847 Base-Backbone interact. energy: -2.270 local terms energy: -387.734870 where: bonds (distance) C4'-P energy: -85.691 bonds (distance) P-C4' energy: -86.169 flat angles C4'-P-C4' energy: -81.551 flat angles P-C4'-P energy: -60.427 tors. eta vs tors. theta energy: -73.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -810.329410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.329410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.329410 (E_RNA) where: Base-Base interactions energy: -456.474 where: short stacking energy: -233.750 Base-Backbone interact. energy: -1.797 local terms energy: -352.058446 where: bonds (distance) C4'-P energy: -94.841 bonds (distance) P-C4' energy: -78.309 flat angles C4'-P-C4' energy: -84.034 flat angles P-C4'-P energy: -55.318 tors. eta vs tors. theta energy: -39.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -752.464736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.464736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.464736 (E_RNA) where: Base-Base interactions energy: -443.855 where: short stacking energy: -211.719 Base-Backbone interact. energy: -1.657 local terms energy: -306.952524 where: bonds (distance) C4'-P energy: -72.992 bonds (distance) P-C4' energy: -80.650 flat angles C4'-P-C4' energy: -79.754 flat angles P-C4'-P energy: -50.235 tors. eta vs tors. theta energy: -23.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -541.538865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.538865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.538865 (E_RNA) where: Base-Base interactions energy: -274.822 where: short stacking energy: -147.410 Base-Backbone interact. energy: -2.190 local terms energy: -264.526852 where: bonds (distance) C4'-P energy: -73.123 bonds (distance) P-C4' energy: -65.744 flat angles C4'-P-C4' energy: -79.119 flat angles P-C4'-P energy: -46.100 tors. eta vs tors. theta energy: -0.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1723.081679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.081679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.081679 (E_RNA) where: Base-Base interactions energy: -1154.654 where: short stacking energy: -536.975 Base-Backbone interact. energy: -4.455 local terms energy: -563.972725 where: bonds (distance) C4'-P energy: -103.127 bonds (distance) P-C4' energy: -92.428 flat angles C4'-P-C4' energy: -114.372 flat angles P-C4'-P energy: -87.934 tors. eta vs tors. theta energy: -166.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1639.201531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.201531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.201531 (E_RNA) where: Base-Base interactions energy: -1134.491 where: short stacking energy: -484.565 Base-Backbone interact. energy: -2.935 local terms energy: -501.775382 where: bonds (distance) C4'-P energy: -101.779 bonds (distance) P-C4' energy: -90.710 flat angles C4'-P-C4' energy: -106.816 flat angles P-C4'-P energy: -67.415 tors. eta vs tors. theta energy: -135.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1615.258126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.258126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.258126 (E_RNA) where: Base-Base interactions energy: -1110.685 where: short stacking energy: -481.050 Base-Backbone interact. energy: -3.511 local terms energy: -501.062342 where: bonds (distance) C4'-P energy: -80.934 bonds (distance) P-C4' energy: -96.213 flat angles C4'-P-C4' energy: -107.896 flat angles P-C4'-P energy: -72.029 tors. eta vs tors. theta energy: -143.990 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: 2 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1534.043743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.043743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.043743 (E_RNA) where: Base-Base interactions energy: -1048.248 where: short stacking energy: -460.194 Base-Backbone interact. energy: -1.376 local terms energy: -484.420427 where: bonds (distance) C4'-P energy: -92.806 bonds (distance) P-C4' energy: -84.872 flat angles C4'-P-C4' energy: -101.214 flat angles P-C4'-P energy: -63.412 tors. eta vs tors. theta energy: -142.117 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: 5, replica: 4 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1423.827757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.827757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.827757 (E_RNA) where: Base-Base interactions energy: -991.836 where: short stacking energy: -407.019 Base-Backbone interact. energy: -2.963 local terms energy: -429.028511 where: bonds (distance) C4'-P energy: -76.574 bonds (distance) P-C4' energy: -99.659 flat angles C4'-P-C4' energy: -104.154 flat angles P-C4'-P energy: -46.514 tors. eta vs tors. theta energy: -102.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1249.774173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.774173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.774173 (E_RNA) where: Base-Base interactions energy: -836.465 where: short stacking energy: -374.757 Base-Backbone interact. energy: 3.381 local terms energy: -416.689878 where: bonds (distance) C4'-P energy: -85.610 bonds (distance) P-C4' energy: -87.822 flat angles C4'-P-C4' energy: -94.505 flat angles P-C4'-P energy: -60.550 tors. eta vs tors. theta energy: -88.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1153.339828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.339828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.339828 (E_RNA) where: Base-Base interactions energy: -771.356 where: short stacking energy: -346.492 Base-Backbone interact. energy: 0.944 local terms energy: -382.927780 where: bonds (distance) C4'-P energy: -73.126 bonds (distance) P-C4' energy: -86.181 flat angles C4'-P-C4' energy: -80.563 flat angles P-C4'-P energy: -55.103 tors. eta vs tors. theta energy: -87.955 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: 1 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -784.593858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.593858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.593858 (E_RNA) where: Base-Base interactions energy: -455.171 where: short stacking energy: -236.361 Base-Backbone interact. energy: -0.926 local terms energy: -328.497020 where: bonds (distance) C4'-P energy: -58.404 bonds (distance) P-C4' energy: -90.822 flat angles C4'-P-C4' energy: -91.812 flat angles P-C4'-P energy: -44.687 tors. eta vs tors. theta energy: -42.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -763.117608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.117608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.117608 (E_RNA) where: Base-Base interactions energy: -443.754 where: short stacking energy: -235.023 Base-Backbone interact. energy: -1.407 local terms energy: -317.956920 where: bonds (distance) C4'-P energy: -93.127 bonds (distance) P-C4' energy: -75.827 flat angles C4'-P-C4' energy: -74.560 flat angles P-C4'-P energy: -43.452 tors. eta vs tors. theta energy: -30.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -553.639205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.639205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.639205 (E_RNA) where: Base-Base interactions energy: -295.439 where: short stacking energy: -174.676 Base-Backbone interact. energy: 0.858 local terms energy: -259.058284 where: bonds (distance) C4'-P energy: -62.099 bonds (distance) P-C4' energy: -70.517 flat angles C4'-P-C4' energy: -62.889 flat angles P-C4'-P energy: -50.233 tors. eta vs tors. theta energy: -13.321 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: 6 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1720.964986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.964986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.964986 (E_RNA) where: Base-Base interactions energy: -1178.324 where: short stacking energy: -539.784 Base-Backbone interact. energy: -0.563 local terms energy: -542.078009 where: bonds (distance) C4'-P energy: -92.033 bonds (distance) P-C4' energy: -93.846 flat angles C4'-P-C4' energy: -118.994 flat angles P-C4'-P energy: -75.942 tors. eta vs tors. theta energy: -161.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1668.926719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.926719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.926719 (E_RNA) where: Base-Base interactions energy: -1168.720 where: short stacking energy: -518.078 Base-Backbone interact. energy: -2.064 local terms energy: -498.142276 where: bonds (distance) C4'-P energy: -77.459 bonds (distance) P-C4' energy: -92.206 flat angles C4'-P-C4' energy: -107.236 flat angles P-C4'-P energy: -68.035 tors. eta vs tors. theta energy: -153.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1610.680097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.680097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.680097 (E_RNA) where: Base-Base interactions energy: -1119.431 where: short stacking energy: -464.109 Base-Backbone interact. energy: -2.157 local terms energy: -489.091710 where: bonds (distance) C4'-P energy: -86.127 bonds (distance) P-C4' energy: -95.912 flat angles C4'-P-C4' energy: -112.023 flat angles P-C4'-P energy: -63.877 tors. eta vs tors. theta energy: -131.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1517.547543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.547543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.547543 (E_RNA) where: Base-Base interactions energy: -1037.192 where: short stacking energy: -460.970 Base-Backbone interact. energy: 0.631 local terms energy: -480.986653 where: bonds (distance) C4'-P energy: -76.714 bonds (distance) P-C4' energy: -95.911 flat angles C4'-P-C4' energy: -103.035 flat angles P-C4'-P energy: -69.263 tors. eta vs tors. theta energy: -136.065 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: 4 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1351.672283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.672283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.672283 (E_RNA) where: Base-Base interactions energy: -963.673 where: short stacking energy: -394.246 Base-Backbone interact. energy: 3.716 local terms energy: -391.715321 where: bonds (distance) C4'-P energy: -79.582 bonds (distance) P-C4' energy: -86.710 flat angles C4'-P-C4' energy: -91.473 flat angles P-C4'-P energy: -53.268 tors. eta vs tors. theta energy: -80.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1256.807439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.807439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.807439 (E_RNA) where: Base-Base interactions energy: -855.338 where: short stacking energy: -368.565 Base-Backbone interact. energy: 0.957 local terms energy: -402.426741 where: bonds (distance) C4'-P energy: -63.393 bonds (distance) P-C4' energy: -86.740 flat angles C4'-P-C4' energy: -98.117 flat angles P-C4'-P energy: -55.708 tors. eta vs tors. theta energy: -98.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1138.273495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.273495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.273495 (E_RNA) where: Base-Base interactions energy: -759.879 where: short stacking energy: -344.683 Base-Backbone interact. energy: -0.112 local terms energy: -378.282207 where: bonds (distance) C4'-P energy: -75.610 bonds (distance) P-C4' energy: -81.697 flat angles C4'-P-C4' energy: -90.921 flat angles P-C4'-P energy: -53.594 tors. eta vs tors. theta energy: -76.460 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: 9 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -769.494163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.494163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.494163 (E_RNA) where: Base-Base interactions energy: -437.193 where: short stacking energy: -220.539 Base-Backbone interact. energy: -1.625 local terms energy: -330.675976 where: bonds (distance) C4'-P energy: -89.762 bonds (distance) P-C4' energy: -86.158 flat angles C4'-P-C4' energy: -70.730 flat angles P-C4'-P energy: -56.046 tors. eta vs tors. theta energy: -27.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -756.794923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.794923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.794923 (E_RNA) where: Base-Base interactions energy: -430.448 where: short stacking energy: -194.894 Base-Backbone interact. energy: 4.330 local terms energy: -330.676855 where: bonds (distance) C4'-P energy: -75.284 bonds (distance) P-C4' energy: -87.702 flat angles C4'-P-C4' energy: -83.650 flat angles P-C4'-P energy: -52.280 tors. eta vs tors. theta energy: -31.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -517.186708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.186708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.186708 (E_RNA) where: Base-Base interactions energy: -248.807 where: short stacking energy: -137.573 Base-Backbone interact. energy: -1.908 local terms energy: -266.471077 where: bonds (distance) C4'-P energy: -75.328 bonds (distance) P-C4' energy: -74.151 flat angles C4'-P-C4' energy: -73.165 flat angles P-C4'-P energy: -49.348 tors. eta vs tors. theta energy: 5.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1705.215549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.215549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.215549 (E_RNA) where: Base-Base interactions energy: -1169.823 where: short stacking energy: -507.028 Base-Backbone interact. energy: -2.006 local terms energy: -533.386670 where: bonds (distance) C4'-P energy: -94.677 bonds (distance) P-C4' energy: -109.617 flat angles C4'-P-C4' energy: -114.400 flat angles P-C4'-P energy: -69.821 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: 2, replica: 6 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1689.997125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.997125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.997125 (E_RNA) where: Base-Base interactions energy: -1167.932 where: short stacking energy: -535.402 Base-Backbone interact. energy: -1.113 local terms energy: -520.952778 where: bonds (distance) C4'-P energy: -95.448 bonds (distance) P-C4' energy: -84.338 flat angles C4'-P-C4' energy: -113.944 flat angles P-C4'-P energy: -61.394 tors. eta vs tors. theta energy: -165.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1545.177946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.177946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.177946 (E_RNA) where: Base-Base interactions energy: -1068.055 where: short stacking energy: -451.525 Base-Backbone interact. energy: 0.508 local terms energy: -477.630960 where: bonds (distance) C4'-P energy: -87.492 bonds (distance) P-C4' energy: -85.463 flat angles C4'-P-C4' energy: -100.945 flat angles P-C4'-P energy: -75.491 tors. eta vs tors. theta energy: -128.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1555.162196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.162196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.162196 (E_RNA) where: Base-Base interactions energy: -1089.685 where: short stacking energy: -441.494 Base-Backbone interact. energy: -0.269 local terms energy: -465.207979 where: bonds (distance) C4'-P energy: -83.637 bonds (distance) P-C4' energy: -84.937 flat angles C4'-P-C4' energy: -105.878 flat angles P-C4'-P energy: -65.622 tors. eta vs tors. theta energy: -125.133 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: 4 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1383.793225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.793225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.793225 (E_RNA) where: Base-Base interactions energy: -977.463 where: short stacking energy: -411.417 Base-Backbone interact. energy: 2.490 local terms energy: -408.819829 where: bonds (distance) C4'-P energy: -70.138 bonds (distance) P-C4' energy: -93.708 flat angles C4'-P-C4' energy: -87.021 flat angles P-C4'-P energy: -63.708 tors. eta vs tors. theta energy: -94.244 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: 7 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -1240.647092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.647092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.647092 (E_RNA) where: Base-Base interactions energy: -824.826 where: short stacking energy: -344.402 Base-Backbone interact. energy: -0.789 local terms energy: -415.032775 where: bonds (distance) C4'-P energy: -82.538 bonds (distance) P-C4' energy: -85.769 flat angles C4'-P-C4' energy: -94.955 flat angles P-C4'-P energy: -49.172 tors. eta vs tors. theta energy: -102.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1098.273616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.273616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.273616 (E_RNA) where: Base-Base interactions energy: -731.067 where: short stacking energy: -303.409 Base-Backbone interact. energy: -2.278 local terms energy: -364.929091 where: bonds (distance) C4'-P energy: -72.892 bonds (distance) P-C4' energy: -98.112 flat angles C4'-P-C4' energy: -82.556 flat angles P-C4'-P energy: -43.986 tors. eta vs tors. theta energy: -67.383 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: 9 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -755.616433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.616433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.616433 (E_RNA) where: Base-Base interactions energy: -443.794 where: short stacking energy: -217.335 Base-Backbone interact. energy: 0.733 local terms energy: -312.554899 where: bonds (distance) C4'-P energy: -87.958 bonds (distance) P-C4' energy: -89.789 flat angles C4'-P-C4' energy: -63.489 flat angles P-C4'-P energy: -41.956 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: 1 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -727.476613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.476613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.476613 (E_RNA) where: Base-Base interactions energy: -416.277 where: short stacking energy: -206.950 Base-Backbone interact. energy: 1.027 local terms energy: -312.227105 where: bonds (distance) C4'-P energy: -77.111 bonds (distance) P-C4' energy: -85.550 flat angles C4'-P-C4' energy: -83.004 flat angles P-C4'-P energy: -44.267 tors. eta vs tors. theta energy: -22.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -509.560432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.560432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.560432 (E_RNA) where: Base-Base interactions energy: -252.739 where: short stacking energy: -162.543 Base-Backbone interact. energy: -2.205 local terms energy: -254.617335 where: bonds (distance) C4'-P energy: -78.826 bonds (distance) P-C4' energy: -77.737 flat angles C4'-P-C4' energy: -59.355 flat angles P-C4'-P energy: -34.884 tors. eta vs tors. theta energy: -3.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1696.018123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.018123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.018123 (E_RNA) where: Base-Base interactions energy: -1189.933 where: short stacking energy: -492.475 Base-Backbone interact. energy: -2.115 local terms energy: -503.970186 where: bonds (distance) C4'-P energy: -97.480 bonds (distance) P-C4' energy: -94.845 flat angles C4'-P-C4' energy: -104.046 flat angles P-C4'-P energy: -64.365 tors. eta vs tors. theta energy: -143.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1677.201168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.201168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.201168 (E_RNA) where: Base-Base interactions energy: -1150.659 where: short stacking energy: -505.543 Base-Backbone interact. energy: -1.817 local terms energy: -524.724853 where: bonds (distance) C4'-P energy: -88.252 bonds (distance) P-C4' energy: -94.684 flat angles C4'-P-C4' energy: -104.660 flat angles P-C4'-P energy: -75.212 tors. eta vs tors. theta energy: -161.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1582.588264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.588264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.588264 (E_RNA) where: Base-Base interactions energy: -1087.684 where: short stacking energy: -471.824 Base-Backbone interact. energy: -1.420 local terms energy: -493.484571 where: bonds (distance) C4'-P energy: -87.903 bonds (distance) P-C4' energy: -92.949 flat angles C4'-P-C4' energy: -94.511 flat angles P-C4'-P energy: -76.666 tors. eta vs tors. theta energy: -141.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1551.454846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.454846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.454846 (E_RNA) where: Base-Base interactions energy: -1087.551 where: short stacking energy: -462.128 Base-Backbone interact. energy: 0.021 local terms energy: -463.924993 where: bonds (distance) C4'-P energy: -77.898 bonds (distance) P-C4' energy: -80.413 flat angles C4'-P-C4' energy: -104.331 flat angles P-C4'-P energy: -66.460 tors. eta vs tors. theta energy: -134.823 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: 4 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1335.075031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.075031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.075031 (E_RNA) where: Base-Base interactions energy: -946.222 where: short stacking energy: -377.219 Base-Backbone interact. energy: -1.783 local terms energy: -387.069128 where: bonds (distance) C4'-P energy: -68.658 bonds (distance) P-C4' energy: -98.701 flat angles C4'-P-C4' energy: -83.744 flat angles P-C4'-P energy: -44.863 tors. eta vs tors. theta energy: -91.102 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: 6, replica: 7 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1231.094351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.094351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.094351 (E_RNA) where: Base-Base interactions energy: -835.009 where: short stacking energy: -368.034 Base-Backbone interact. energy: -0.171 local terms energy: -395.914143 where: bonds (distance) C4'-P energy: -84.907 bonds (distance) P-C4' energy: -75.471 flat angles C4'-P-C4' energy: -94.235 flat angles P-C4'-P energy: -62.848 tors. eta vs tors. theta energy: -78.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1117.091714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.091714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.091714 (E_RNA) where: Base-Base interactions energy: -722.252 where: short stacking energy: -329.758 Base-Backbone interact. energy: 1.902 local terms energy: -396.741607 where: bonds (distance) C4'-P energy: -74.104 bonds (distance) P-C4' energy: -91.606 flat angles C4'-P-C4' energy: -95.307 flat angles P-C4'-P energy: -58.252 tors. eta vs tors. theta energy: -77.473 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: 1 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -739.927868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.927868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.927868 (E_RNA) where: Base-Base interactions energy: -441.848 where: short stacking energy: -207.839 Base-Backbone interact. energy: -0.386 local terms energy: -297.694040 where: bonds (distance) C4'-P energy: -69.590 bonds (distance) P-C4' energy: -67.955 flat angles C4'-P-C4' energy: -75.381 flat angles P-C4'-P energy: -55.813 tors. eta vs tors. theta energy: -28.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -815.561525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.561525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.561525 (E_RNA) where: Base-Base interactions energy: -511.669 where: short stacking energy: -248.239 Base-Backbone interact. energy: -1.563 local terms energy: -302.329721 where: bonds (distance) C4'-P energy: -71.545 bonds (distance) P-C4' energy: -53.054 flat angles C4'-P-C4' energy: -77.284 flat angles P-C4'-P energy: -53.410 tors. eta vs tors. theta energy: -47.036 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: 10, replica: 3 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -487.029562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.029562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.029562 (E_RNA) where: Base-Base interactions energy: -225.384 where: short stacking energy: -133.041 Base-Backbone interact. energy: 1.071 local terms energy: -262.716442 where: bonds (distance) C4'-P energy: -75.265 bonds (distance) P-C4' energy: -88.531 flat angles C4'-P-C4' energy: -60.890 flat angles P-C4'-P energy: -36.400 tors. eta vs tors. theta energy: -1.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1703.356515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.356515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.356515 (E_RNA) where: Base-Base interactions energy: -1171.199 where: short stacking energy: -499.518 Base-Backbone interact. energy: -1.785 local terms energy: -530.372760 where: bonds (distance) C4'-P energy: -90.253 bonds (distance) P-C4' energy: -106.901 flat angles C4'-P-C4' energy: -114.731 flat angles P-C4'-P energy: -71.813 tors. eta vs tors. theta energy: -146.676 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: 2, replica: 6 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1678.271269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.271269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.271269 (E_RNA) where: Base-Base interactions energy: -1136.991 where: short stacking energy: -521.183 Base-Backbone interact. energy: -1.310 local terms energy: -539.971110 where: bonds (distance) C4'-P energy: -87.784 bonds (distance) P-C4' energy: -102.755 flat angles C4'-P-C4' energy: -109.240 flat angles P-C4'-P energy: -84.903 tors. eta vs tors. theta energy: -155.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1607.585486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.585486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.585486 (E_RNA) where: Base-Base interactions energy: -1145.351 where: short stacking energy: -445.487 Base-Backbone interact. energy: -2.751 local terms energy: -459.483908 where: bonds (distance) C4'-P energy: -87.683 bonds (distance) P-C4' energy: -81.146 flat angles C4'-P-C4' energy: -108.589 flat angles P-C4'-P energy: -63.331 tors. eta vs tors. theta energy: -118.735 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: 2 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1550.364320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.364320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.364320 (E_RNA) where: Base-Base interactions energy: -1059.787 where: short stacking energy: -478.781 Base-Backbone interact. energy: 0.792 local terms energy: -491.369425 where: bonds (distance) C4'-P energy: -91.015 bonds (distance) P-C4' energy: -95.605 flat angles C4'-P-C4' energy: -94.971 flat angles P-C4'-P energy: -67.642 tors. eta vs tors. theta energy: -142.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1390.679800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.679800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.679800 (E_RNA) where: Base-Base interactions energy: -954.054 where: short stacking energy: -405.088 Base-Backbone interact. energy: 1.232 local terms energy: -437.858080 where: bonds (distance) C4'-P energy: -98.537 bonds (distance) P-C4' energy: -77.422 flat angles C4'-P-C4' energy: -94.314 flat angles P-C4'-P energy: -61.031 tors. eta vs tors. theta energy: -106.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1165.824728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.824728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.824728 (E_RNA) where: Base-Base interactions energy: -754.904 where: short stacking energy: -337.712 Base-Backbone interact. energy: -2.184 local terms energy: -408.737003 where: bonds (distance) C4'-P energy: -90.389 bonds (distance) P-C4' energy: -85.668 flat angles C4'-P-C4' energy: -96.124 flat angles P-C4'-P energy: -63.349 tors. eta vs tors. theta energy: -73.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1138.040959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.040959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.040959 (E_RNA) where: Base-Base interactions energy: -753.845 where: short stacking energy: -317.890 Base-Backbone interact. energy: -0.179 local terms energy: -384.016912 where: bonds (distance) C4'-P energy: -84.134 bonds (distance) P-C4' energy: -75.073 flat angles C4'-P-C4' energy: -92.525 flat angles P-C4'-P energy: -48.942 tors. eta vs tors. theta energy: -83.343 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: 1 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -786.539530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.539530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.539530 (E_RNA) where: Base-Base interactions energy: -455.948 where: short stacking energy: -217.089 Base-Backbone interact. energy: -2.451 local terms energy: -328.141131 where: bonds (distance) C4'-P energy: -84.847 bonds (distance) P-C4' energy: -88.325 flat angles C4'-P-C4' energy: -86.555 flat angles P-C4'-P energy: -43.500 tors. eta vs tors. theta energy: -24.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -732.915816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.915816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.915816 (E_RNA) where: Base-Base interactions energy: -429.823 where: short stacking energy: -205.941 Base-Backbone interact. energy: -0.878 local terms energy: -302.214947 where: bonds (distance) C4'-P energy: -84.612 bonds (distance) P-C4' energy: -60.455 flat angles C4'-P-C4' energy: -81.193 flat angles P-C4'-P energy: -55.353 tors. eta vs tors. theta energy: -20.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -509.505026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.505026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.505026 (E_RNA) where: Base-Base interactions energy: -240.677 where: short stacking energy: -151.194 Base-Backbone interact. energy: -1.403 local terms energy: -267.425825 where: bonds (distance) C4'-P energy: -76.795 bonds (distance) P-C4' energy: -91.683 flat angles C4'-P-C4' energy: -69.044 flat angles P-C4'-P energy: -35.596 tors. eta vs tors. theta energy: 5.692 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: 1, replica: 8 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1706.072361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.072361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.072361 (E_RNA) where: Base-Base interactions energy: -1180.136 where: short stacking energy: -502.990 Base-Backbone interact. energy: 0.470 local terms energy: -526.406406 where: bonds (distance) C4'-P energy: -97.221 bonds (distance) P-C4' energy: -103.873 flat angles C4'-P-C4' energy: -107.864 flat angles P-C4'-P energy: -78.370 tors. eta vs tors. theta energy: -139.077 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: 6 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1665.383685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.383685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.383685 (E_RNA) where: Base-Base interactions energy: -1136.434 where: short stacking energy: -506.492 Base-Backbone interact. energy: -1.214 local terms energy: -527.735513 where: bonds (distance) C4'-P energy: -94.841 bonds (distance) P-C4' energy: -96.576 flat angles C4'-P-C4' energy: -101.399 flat angles P-C4'-P energy: -76.264 tors. eta vs tors. theta energy: -158.656 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: 10 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1618.178134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.178134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.178134 (E_RNA) where: Base-Base interactions energy: -1152.921 where: short stacking energy: -453.949 Base-Backbone interact. energy: -2.159 local terms energy: -463.098998 where: bonds (distance) C4'-P energy: -84.772 bonds (distance) P-C4' energy: -78.978 flat angles C4'-P-C4' energy: -107.062 flat angles P-C4'-P energy: -65.638 tors. eta vs tors. theta energy: -126.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1564.371128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.371128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.371128 (E_RNA) where: Base-Base interactions energy: -1062.118 where: short stacking energy: -449.056 Base-Backbone interact. energy: -1.078 local terms energy: -501.175157 where: bonds (distance) C4'-P energy: -87.149 bonds (distance) P-C4' energy: -102.097 flat angles C4'-P-C4' energy: -104.150 flat angles P-C4'-P energy: -66.502 tors. eta vs tors. theta energy: -141.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1395.737188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.737188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.737188 (E_RNA) where: Base-Base interactions energy: -975.560 where: short stacking energy: -390.130 Base-Backbone interact. energy: -0.844 local terms energy: -419.333519 where: bonds (distance) C4'-P energy: -79.958 bonds (distance) P-C4' energy: -94.136 flat angles C4'-P-C4' energy: -86.879 flat angles P-C4'-P energy: -61.173 tors. eta vs tors. theta energy: -97.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1169.949388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.949388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.949388 (E_RNA) where: Base-Base interactions energy: -769.290 where: short stacking energy: -343.210 Base-Backbone interact. energy: -0.394 local terms energy: -400.266285 where: bonds (distance) C4'-P energy: -72.143 bonds (distance) P-C4' energy: -104.101 flat angles C4'-P-C4' energy: -84.474 flat angles P-C4'-P energy: -57.830 tors. eta vs tors. theta energy: -81.718 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: 5 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1108.215949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.215949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.215949 (E_RNA) where: Base-Base interactions energy: -734.219 where: short stacking energy: -301.255 Base-Backbone interact. energy: 3.109 local terms energy: -377.105264 where: bonds (distance) C4'-P energy: -94.906 bonds (distance) P-C4' energy: -84.998 flat angles C4'-P-C4' energy: -80.181 flat angles P-C4'-P energy: -48.435 tors. eta vs tors. theta energy: -68.585 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: 231 Temperature: 1.250000 Total energy: -770.178651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.178651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.178651 (E_RNA) where: Base-Base interactions energy: -451.179 where: short stacking energy: -215.223 Base-Backbone interact. energy: -2.113 local terms energy: -316.886648 where: bonds (distance) C4'-P energy: -74.317 bonds (distance) P-C4' energy: -82.481 flat angles C4'-P-C4' energy: -74.485 flat angles P-C4'-P energy: -47.884 tors. eta vs tors. theta energy: -37.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -741.128317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.128317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.128317 (E_RNA) where: Base-Base interactions energy: -431.085 where: short stacking energy: -223.617 Base-Backbone interact. energy: -0.472 local terms energy: -309.571351 where: bonds (distance) C4'-P energy: -82.767 bonds (distance) P-C4' energy: -85.018 flat angles C4'-P-C4' energy: -69.178 flat angles P-C4'-P energy: -43.710 tors. eta vs tors. theta energy: -28.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -502.939979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.939979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.939979 (E_RNA) where: Base-Base interactions energy: -241.935 where: short stacking energy: -147.384 Base-Backbone interact. energy: 1.386 local terms energy: -262.390756 where: bonds (distance) C4'-P energy: -82.107 bonds (distance) P-C4' energy: -81.772 flat angles C4'-P-C4' energy: -54.724 flat angles P-C4'-P energy: -34.257 tors. eta vs tors. theta energy: -9.530 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: 1, replica: 8 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1703.194013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.194013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.194013 (E_RNA) where: Base-Base interactions energy: -1184.015 where: short stacking energy: -511.156 Base-Backbone interact. energy: -2.345 local terms energy: -516.834694 where: bonds (distance) C4'-P energy: -95.774 bonds (distance) P-C4' energy: -102.359 flat angles C4'-P-C4' energy: -98.443 flat angles P-C4'-P energy: -75.944 tors. eta vs tors. theta energy: -144.315 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: 2, replica: 6 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1681.036361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.036361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.036361 (E_RNA) where: Base-Base interactions energy: -1156.147 where: short stacking energy: -515.910 Base-Backbone interact. energy: -0.232 local terms energy: -524.657328 where: bonds (distance) C4'-P energy: -96.560 bonds (distance) P-C4' energy: -85.510 flat angles C4'-P-C4' energy: -109.818 flat angles P-C4'-P energy: -74.154 tors. eta vs tors. theta energy: -158.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1613.760843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.760843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.760843 (E_RNA) where: Base-Base interactions energy: -1147.432 where: short stacking energy: -481.920 Base-Backbone interact. energy: -0.957 local terms energy: -465.371172 where: bonds (distance) C4'-P energy: -88.654 bonds (distance) P-C4' energy: -83.097 flat angles C4'-P-C4' energy: -101.122 flat angles P-C4'-P energy: -66.693 tors. eta vs tors. theta energy: -125.806 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: 2 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1555.991638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.991638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.991638 (E_RNA) where: Base-Base interactions energy: -1057.040 where: short stacking energy: -468.425 Base-Backbone interact. energy: 0.660 local terms energy: -499.610765 where: bonds (distance) C4'-P energy: -89.000 bonds (distance) P-C4' energy: -84.734 flat angles C4'-P-C4' energy: -100.405 flat angles P-C4'-P energy: -75.238 tors. eta vs tors. theta energy: -150.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1369.679358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.679358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.679358 (E_RNA) where: Base-Base interactions energy: -938.335 where: short stacking energy: -398.274 Base-Backbone interact. energy: -2.083 local terms energy: -429.260550 where: bonds (distance) C4'-P energy: -74.736 bonds (distance) P-C4' energy: -82.270 flat angles C4'-P-C4' energy: -99.801 flat angles P-C4'-P energy: -64.342 tors. eta vs tors. theta energy: -108.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1108.660500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.660500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.660500 (E_RNA) where: Base-Base interactions energy: -716.581 where: short stacking energy: -333.035 Base-Backbone interact. energy: 1.030 local terms energy: -393.109378 where: bonds (distance) C4'-P energy: -72.682 bonds (distance) P-C4' energy: -92.194 flat angles C4'-P-C4' energy: -95.558 flat angles P-C4'-P energy: -54.780 tors. eta vs tors. theta energy: -77.895 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: 5 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1141.225422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.225422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.225422 (E_RNA) where: Base-Base interactions energy: -743.303 where: short stacking energy: -328.209 Base-Backbone interact. energy: -0.259 local terms energy: -397.663523 where: bonds (distance) C4'-P energy: -86.337 bonds (distance) P-C4' energy: -90.141 flat angles C4'-P-C4' energy: -86.278 flat angles P-C4'-P energy: -58.293 tors. eta vs tors. theta energy: -76.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -778.039632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.039632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.039632 (E_RNA) where: Base-Base interactions energy: -473.064 where: short stacking energy: -241.234 Base-Backbone interact. energy: -0.524 local terms energy: -304.452016 where: bonds (distance) C4'-P energy: -72.977 bonds (distance) P-C4' energy: -73.824 flat angles C4'-P-C4' energy: -71.518 flat angles P-C4'-P energy: -61.236 tors. eta vs tors. theta energy: -24.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -723.140051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.140051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.140051 (E_RNA) where: Base-Base interactions energy: -412.906 where: short stacking energy: -223.935 Base-Backbone interact. energy: -0.415 local terms energy: -309.818596 where: bonds (distance) C4'-P energy: -72.782 bonds (distance) P-C4' energy: -93.329 flat angles C4'-P-C4' energy: -69.387 flat angles P-C4'-P energy: -54.652 tors. eta vs tors. theta energy: -19.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -521.900698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.900698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.900698 (E_RNA) where: Base-Base interactions energy: -268.852 where: short stacking energy: -152.237 Base-Backbone interact. energy: -2.291 local terms energy: -250.758052 where: bonds (distance) C4'-P energy: -54.209 bonds (distance) P-C4' energy: -88.639 flat angles C4'-P-C4' energy: -67.034 flat angles P-C4'-P energy: -49.687 tors. eta vs tors. theta energy: 8.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1696.978520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.978520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.978520 (E_RNA) where: Base-Base interactions energy: -1164.715 where: short stacking energy: -498.704 Base-Backbone interact. energy: -2.113 local terms energy: -530.150275 where: bonds (distance) C4'-P energy: -102.066 bonds (distance) P-C4' energy: -90.243 flat angles C4'-P-C4' energy: -114.574 flat angles P-C4'-P energy: -79.448 tors. eta vs tors. theta energy: -143.819 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: 6 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1657.094329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.094329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.094329 (E_RNA) where: Base-Base interactions energy: -1124.384 where: short stacking energy: -508.132 Base-Backbone interact. energy: -1.531 local terms energy: -531.179413 where: bonds (distance) C4'-P energy: -96.023 bonds (distance) P-C4' energy: -96.151 flat angles C4'-P-C4' energy: -107.463 flat angles P-C4'-P energy: -72.894 tors. eta vs tors. theta energy: -158.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1621.747507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.747507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.747507 (E_RNA) where: Base-Base interactions energy: -1148.154 where: short stacking energy: -464.507 Base-Backbone interact. energy: 0.865 local terms energy: -474.458692 where: bonds (distance) C4'-P energy: -82.423 bonds (distance) P-C4' energy: -98.423 flat angles C4'-P-C4' energy: -93.256 flat angles P-C4'-P energy: -77.475 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: 4, replica: 2 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1528.362821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.362821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.362821 (E_RNA) where: Base-Base interactions energy: -1061.500 where: short stacking energy: -460.579 Base-Backbone interact. energy: 0.261 local terms energy: -467.123172 where: bonds (distance) C4'-P energy: -82.795 bonds (distance) P-C4' energy: -92.377 flat angles C4'-P-C4' energy: -100.124 flat angles P-C4'-P energy: -61.629 tors. eta vs tors. theta energy: -130.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1331.770487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.770487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.770487 (E_RNA) where: Base-Base interactions energy: -913.656 where: short stacking energy: -363.004 Base-Backbone interact. energy: -0.009 local terms energy: -418.105864 where: bonds (distance) C4'-P energy: -89.153 bonds (distance) P-C4' energy: -91.164 flat angles C4'-P-C4' energy: -92.038 flat angles P-C4'-P energy: -57.970 tors. eta vs tors. theta energy: -87.781 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: 233 Temperature: 1.150000 Total energy: -1154.902624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.902624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.902624 (E_RNA) where: Base-Base interactions energy: -738.959 where: short stacking energy: -343.700 Base-Backbone interact. energy: -1.955 local terms energy: -413.989139 where: bonds (distance) C4'-P energy: -91.759 bonds (distance) P-C4' energy: -97.087 flat angles C4'-P-C4' energy: -97.756 flat angles P-C4'-P energy: -46.081 tors. eta vs tors. theta energy: -81.307 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: 5 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1116.534052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.534052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.534052 (E_RNA) where: Base-Base interactions energy: -734.856 where: short stacking energy: -341.448 Base-Backbone interact. energy: -2.493 local terms energy: -379.184487 where: bonds (distance) C4'-P energy: -62.036 bonds (distance) P-C4' energy: -80.299 flat angles C4'-P-C4' energy: -89.691 flat angles P-C4'-P energy: -65.375 tors. eta vs tors. theta energy: -81.784 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: 1 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -772.722299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.722299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.722299 (E_RNA) where: Base-Base interactions energy: -437.248 where: short stacking energy: -206.767 Base-Backbone interact. energy: 0.240 local terms energy: -335.714203 where: bonds (distance) C4'-P energy: -91.547 bonds (distance) P-C4' energy: -92.146 flat angles C4'-P-C4' energy: -78.894 flat angles P-C4'-P energy: -49.473 tors. eta vs tors. theta energy: -23.654 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: 9, replica: 9 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -762.295755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.295755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.295755 (E_RNA) where: Base-Base interactions energy: -456.505 where: short stacking energy: -217.965 Base-Backbone interact. energy: 0.537 local terms energy: -306.327492 where: bonds (distance) C4'-P energy: -79.208 bonds (distance) P-C4' energy: -89.032 flat angles C4'-P-C4' energy: -78.848 flat angles P-C4'-P energy: -33.895 tors. eta vs tors. theta energy: -25.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -524.403848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.403848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.403848 (E_RNA) where: Base-Base interactions energy: -230.743 where: short stacking energy: -131.598 Base-Backbone interact. energy: 2.033 local terms energy: -295.694521 where: bonds (distance) C4'-P energy: -91.592 bonds (distance) P-C4' energy: -92.053 flat angles C4'-P-C4' energy: -75.207 flat angles P-C4'-P energy: -38.730 tors. eta vs tors. theta energy: 1.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1711.339711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.339711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.339711 (E_RNA) where: Base-Base interactions energy: -1170.941 where: short stacking energy: -540.025 Base-Backbone interact. energy: -1.406 local terms energy: -538.993468 where: bonds (distance) C4'-P energy: -89.420 bonds (distance) P-C4' energy: -99.539 flat angles C4'-P-C4' energy: -108.542 flat angles P-C4'-P energy: -79.937 tors. eta vs tors. theta energy: -161.555 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: 8 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1651.778212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.778212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.778212 (E_RNA) where: Base-Base interactions energy: -1143.830 where: short stacking energy: -495.378 Base-Backbone interact. energy: 1.972 local terms energy: -509.919839 where: bonds (distance) C4'-P energy: -105.927 bonds (distance) P-C4' energy: -87.230 flat angles C4'-P-C4' energy: -99.039 flat angles P-C4'-P energy: -75.428 tors. eta vs tors. theta energy: -142.297 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: 10 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1626.979020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.979020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.979020 (E_RNA) where: Base-Base interactions energy: -1155.042 where: short stacking energy: -453.752 Base-Backbone interact. energy: -0.567 local terms energy: -471.369414 where: bonds (distance) C4'-P energy: -88.699 bonds (distance) P-C4' energy: -89.101 flat angles C4'-P-C4' energy: -97.507 flat angles P-C4'-P energy: -65.081 tors. eta vs tors. theta energy: -130.981 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: 2 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1497.566060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.566060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.566060 (E_RNA) where: Base-Base interactions energy: -1036.528 where: short stacking energy: -438.912 Base-Backbone interact. energy: 0.121 local terms energy: -461.159158 where: bonds (distance) C4'-P energy: -77.550 bonds (distance) P-C4' energy: -89.844 flat angles C4'-P-C4' energy: -90.788 flat angles P-C4'-P energy: -79.391 tors. eta vs tors. theta energy: -123.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1379.599681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.599681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.599681 (E_RNA) where: Base-Base interactions energy: -946.058 where: short stacking energy: -398.837 Base-Backbone interact. energy: -1.502 local terms energy: -432.039788 where: bonds (distance) C4'-P energy: -86.270 bonds (distance) P-C4' energy: -82.913 flat angles C4'-P-C4' energy: -106.121 flat angles P-C4'-P energy: -60.631 tors. eta vs tors. theta energy: -96.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1111.386447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.386447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.386447 (E_RNA) where: Base-Base interactions energy: -708.833 where: short stacking energy: -318.328 Base-Backbone interact. energy: -3.207 local terms energy: -399.346123 where: bonds (distance) C4'-P energy: -75.946 bonds (distance) P-C4' energy: -88.803 flat angles C4'-P-C4' energy: -98.766 flat angles P-C4'-P energy: -58.279 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: 7, replica: 5 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1103.844160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.844160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.844160 (E_RNA) where: Base-Base interactions energy: -725.534 where: short stacking energy: -319.613 Base-Backbone interact. energy: -2.428 local terms energy: -375.882025 where: bonds (distance) C4'-P energy: -87.582 bonds (distance) P-C4' energy: -85.781 flat angles C4'-P-C4' energy: -71.491 flat angles P-C4'-P energy: -63.088 tors. eta vs tors. theta energy: -67.940 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: 234 Temperature: 1.250000 Total energy: -754.481431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.481431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.481431 (E_RNA) where: Base-Base interactions energy: -432.161 where: short stacking energy: -232.951 Base-Backbone interact. energy: -2.454 local terms energy: -319.865652 where: bonds (distance) C4'-P energy: -84.754 bonds (distance) P-C4' energy: -78.380 flat angles C4'-P-C4' energy: -86.711 flat angles P-C4'-P energy: -37.554 tors. eta vs tors. theta energy: -32.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -787.628129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.628129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.628129 (E_RNA) where: Base-Base interactions energy: -478.527 where: short stacking energy: -227.226 Base-Backbone interact. energy: -1.524 local terms energy: -307.576845 where: bonds (distance) C4'-P energy: -70.978 bonds (distance) P-C4' energy: -84.809 flat angles C4'-P-C4' energy: -80.305 flat angles P-C4'-P energy: -45.150 tors. eta vs tors. theta energy: -26.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -477.299602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.299602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.299602 (E_RNA) where: Base-Base interactions energy: -244.459 where: short stacking energy: -145.401 Base-Backbone interact. energy: -1.521 local terms energy: -231.319739 where: bonds (distance) C4'-P energy: -74.509 bonds (distance) P-C4' energy: -74.209 flat angles C4'-P-C4' energy: -63.378 flat angles P-C4'-P energy: -22.682 tors. eta vs tors. theta energy: 3.458 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: 1, replica: 6 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1695.937924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.937924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.937924 (E_RNA) where: Base-Base interactions energy: -1155.093 where: short stacking energy: -524.015 Base-Backbone interact. energy: -1.444 local terms energy: -539.400728 where: bonds (distance) C4'-P energy: -99.903 bonds (distance) P-C4' energy: -98.889 flat angles C4'-P-C4' energy: -107.406 flat angles P-C4'-P energy: -80.755 tors. eta vs tors. theta energy: -152.448 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: 235 Temperature: 0.950000 Total energy: -1668.135095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.135095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.135095 (E_RNA) where: Base-Base interactions energy: -1151.251 where: short stacking energy: -495.008 Base-Backbone interact. energy: 1.960 local terms energy: -518.844625 where: bonds (distance) C4'-P energy: -97.171 bonds (distance) P-C4' energy: -98.044 flat angles C4'-P-C4' energy: -103.890 flat angles P-C4'-P energy: -73.860 tors. eta vs tors. theta energy: -145.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1604.450632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.450632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.450632 (E_RNA) where: Base-Base interactions energy: -1132.095 where: short stacking energy: -451.579 Base-Backbone interact. energy: -1.750 local terms energy: -470.606048 where: bonds (distance) C4'-P energy: -77.287 bonds (distance) P-C4' energy: -89.260 flat angles C4'-P-C4' energy: -101.905 flat angles P-C4'-P energy: -77.047 tors. eta vs tors. theta energy: -125.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1552.508182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.508182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.508182 (E_RNA) where: Base-Base interactions energy: -1065.313 where: short stacking energy: -473.461 Base-Backbone interact. energy: 0.091 local terms energy: -487.286185 where: bonds (distance) C4'-P energy: -76.529 bonds (distance) P-C4' energy: -95.281 flat angles C4'-P-C4' energy: -105.605 flat angles P-C4'-P energy: -67.314 tors. eta vs tors. theta energy: -142.557 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: 4 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -1335.683666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.683666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.683666 (E_RNA) where: Base-Base interactions energy: -906.439 where: short stacking energy: -382.923 Base-Backbone interact. energy: -3.255 local terms energy: -425.989870 where: bonds (distance) C4'-P energy: -83.000 bonds (distance) P-C4' energy: -95.459 flat angles C4'-P-C4' energy: -99.729 flat angles P-C4'-P energy: -53.606 tors. eta vs tors. theta energy: -94.196 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: 5 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1185.125573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.125573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.125573 (E_RNA) where: Base-Base interactions energy: -774.526 where: short stacking energy: -340.833 Base-Backbone interact. energy: -2.499 local terms energy: -408.101118 where: bonds (distance) C4'-P energy: -67.106 bonds (distance) P-C4' energy: -96.854 flat angles C4'-P-C4' energy: -94.521 flat angles P-C4'-P energy: -60.850 tors. eta vs tors. theta energy: -88.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1073.348982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.348982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.348982 (E_RNA) where: Base-Base interactions energy: -705.496 where: short stacking energy: -317.025 Base-Backbone interact. energy: -1.403 local terms energy: -366.450572 where: bonds (distance) C4'-P energy: -71.638 bonds (distance) P-C4' energy: -75.051 flat angles C4'-P-C4' energy: -93.967 flat angles P-C4'-P energy: -52.961 tors. eta vs tors. theta energy: -72.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -821.931707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.931707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.931707 (E_RNA) where: Base-Base interactions energy: -464.797 where: short stacking energy: -245.085 Base-Backbone interact. energy: -1.168 local terms energy: -355.966647 where: bonds (distance) C4'-P energy: -81.834 bonds (distance) P-C4' energy: -81.359 flat angles C4'-P-C4' energy: -78.192 flat angles P-C4'-P energy: -55.602 tors. eta vs tors. theta energy: -58.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -739.387363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.387363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.387363 (E_RNA) where: Base-Base interactions energy: -418.561 where: short stacking energy: -213.071 Base-Backbone interact. energy: -0.584 local terms energy: -320.242290 where: bonds (distance) C4'-P energy: -73.875 bonds (distance) P-C4' energy: -93.510 flat angles C4'-P-C4' energy: -86.270 flat angles P-C4'-P energy: -47.131 tors. eta vs tors. theta energy: -19.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -450.889667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.889667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.889667 (E_RNA) where: Base-Base interactions energy: -198.532 where: short stacking energy: -132.425 Base-Backbone interact. energy: 5.843 local terms energy: -258.201484 where: bonds (distance) C4'-P energy: -77.737 bonds (distance) P-C4' energy: -75.273 flat angles C4'-P-C4' energy: -65.829 flat angles P-C4'-P energy: -41.656 tors. eta vs tors. theta energy: 2.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1704.650117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.650117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.650117 (E_RNA) where: Base-Base interactions energy: -1173.973 where: short stacking energy: -520.616 Base-Backbone interact. energy: -1.018 local terms energy: -529.659606 where: bonds (distance) C4'-P energy: -99.081 bonds (distance) P-C4' energy: -92.496 flat angles C4'-P-C4' energy: -115.548 flat angles P-C4'-P energy: -70.173 tors. eta vs tors. theta energy: -152.362 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: 8 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1633.890175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.890175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.890175 (E_RNA) where: Base-Base interactions energy: -1132.945 where: short stacking energy: -478.448 Base-Backbone interact. energy: -2.072 local terms energy: -498.873227 where: bonds (distance) C4'-P energy: -86.746 bonds (distance) P-C4' energy: -93.199 flat angles C4'-P-C4' energy: -110.091 flat angles P-C4'-P energy: -68.123 tors. eta vs tors. theta energy: -140.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1595.466198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.466198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.466198 (E_RNA) where: Base-Base interactions energy: -1107.228 where: short stacking energy: -479.202 Base-Backbone interact. energy: 2.369 local terms energy: -490.607121 where: bonds (distance) C4'-P energy: -90.339 bonds (distance) P-C4' energy: -87.836 flat angles C4'-P-C4' energy: -116.357 flat angles P-C4'-P energy: -62.269 tors. eta vs tors. theta energy: -133.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1593.100199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.100199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.100199 (E_RNA) where: Base-Base interactions energy: -1139.355 where: short stacking energy: -446.348 Base-Backbone interact. energy: 1.901 local terms energy: -455.645823 where: bonds (distance) C4'-P energy: -74.539 bonds (distance) P-C4' energy: -78.507 flat angles C4'-P-C4' energy: -103.800 flat angles P-C4'-P energy: -68.711 tors. eta vs tors. theta energy: -130.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1384.057150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.057150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.057150 (E_RNA) where: Base-Base interactions energy: -918.439 where: short stacking energy: -393.608 Base-Backbone interact. energy: -3.441 local terms energy: -462.177018 where: bonds (distance) C4'-P energy: -81.466 bonds (distance) P-C4' energy: -109.302 flat angles C4'-P-C4' energy: -103.867 flat angles P-C4'-P energy: -67.603 tors. eta vs tors. theta energy: -99.938 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: 5 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1152.926465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.926465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.926465 (E_RNA) where: Base-Base interactions energy: -769.517 where: short stacking energy: -342.476 Base-Backbone interact. energy: 3.183 local terms energy: -386.592354 where: bonds (distance) C4'-P energy: -75.997 bonds (distance) P-C4' energy: -79.046 flat angles C4'-P-C4' energy: -95.854 flat angles P-C4'-P energy: -53.619 tors. eta vs tors. theta energy: -82.077 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: 7 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1139.168494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.168494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.168494 (E_RNA) where: Base-Base interactions energy: -772.281 where: short stacking energy: -342.596 Base-Backbone interact. energy: -0.164 local terms energy: -366.723140 where: bonds (distance) C4'-P energy: -65.540 bonds (distance) P-C4' energy: -79.784 flat angles C4'-P-C4' energy: -91.303 flat angles P-C4'-P energy: -50.869 tors. eta vs tors. theta energy: -79.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -844.774404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.774404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.774404 (E_RNA) where: Base-Base interactions energy: -514.851 where: short stacking energy: -221.488 Base-Backbone interact. energy: -1.302 local terms energy: -328.621484 where: bonds (distance) C4'-P energy: -85.597 bonds (distance) P-C4' energy: -89.436 flat angles C4'-P-C4' energy: -70.206 flat angles P-C4'-P energy: -43.881 tors. eta vs tors. theta energy: -39.501 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: 1 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -714.549300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.549300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.549300 (E_RNA) where: Base-Base interactions energy: -418.217 where: short stacking energy: -202.719 Base-Backbone interact. energy: -1.343 local terms energy: -294.988850 where: bonds (distance) C4'-P energy: -64.231 bonds (distance) P-C4' energy: -88.122 flat angles C4'-P-C4' energy: -67.169 flat angles P-C4'-P energy: -40.284 tors. eta vs tors. theta energy: -35.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -489.771449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.771449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.771449 (E_RNA) where: Base-Base interactions energy: -222.492 where: short stacking energy: -125.264 Base-Backbone interact. energy: 0.014 local terms energy: -267.292828 where: bonds (distance) C4'-P energy: -78.854 bonds (distance) P-C4' energy: -84.899 flat angles C4'-P-C4' energy: -78.136 flat angles P-C4'-P energy: -38.139 tors. eta vs tors. theta energy: 12.734 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: 6 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1715.277693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.277693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.277693 (E_RNA) where: Base-Base interactions energy: -1159.051 where: short stacking energy: -523.497 Base-Backbone interact. energy: -0.307 local terms energy: -555.919937 where: bonds (distance) C4'-P energy: -89.942 bonds (distance) P-C4' energy: -105.438 flat angles C4'-P-C4' energy: -111.555 flat angles P-C4'-P energy: -84.569 tors. eta vs tors. theta energy: -164.416 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: 2, replica: 2 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1627.202731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.202731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.202731 (E_RNA) where: Base-Base interactions energy: -1126.025 where: short stacking energy: -480.325 Base-Backbone interact. energy: -1.883 local terms energy: -499.295487 where: bonds (distance) C4'-P energy: -79.686 bonds (distance) P-C4' energy: -100.953 flat angles C4'-P-C4' energy: -99.817 flat angles P-C4'-P energy: -75.542 tors. eta vs tors. theta energy: -143.297 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: 8 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1624.400672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.400672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.400672 (E_RNA) where: Base-Base interactions energy: -1120.054 where: short stacking energy: -504.534 Base-Backbone interact. energy: -0.728 local terms energy: -503.619440 where: bonds (distance) C4'-P energy: -87.698 bonds (distance) P-C4' energy: -89.395 flat angles C4'-P-C4' energy: -109.817 flat angles P-C4'-P energy: -69.127 tors. eta vs tors. theta energy: -147.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1558.166672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.166672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.166672 (E_RNA) where: Base-Base interactions energy: -1091.485 where: short stacking energy: -454.710 Base-Backbone interact. energy: 0.377 local terms energy: -467.058392 where: bonds (distance) C4'-P energy: -90.903 bonds (distance) P-C4' energy: -93.609 flat angles C4'-P-C4' energy: -93.789 flat angles P-C4'-P energy: -69.521 tors. eta vs tors. theta energy: -119.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1322.359369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.359369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.359369 (E_RNA) where: Base-Base interactions energy: -902.013 where: short stacking energy: -381.486 Base-Backbone interact. energy: 1.590 local terms energy: -421.936192 where: bonds (distance) C4'-P energy: -85.715 bonds (distance) P-C4' energy: -83.238 flat angles C4'-P-C4' energy: -100.084 flat angles P-C4'-P energy: -64.335 tors. eta vs tors. theta energy: -88.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1136.756246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.756246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.756246 (E_RNA) where: Base-Base interactions energy: -735.211 where: short stacking energy: -341.501 Base-Backbone interact. energy: 1.362 local terms energy: -402.907221 where: bonds (distance) C4'-P energy: -85.443 bonds (distance) P-C4' energy: -83.467 flat angles C4'-P-C4' energy: -90.227 flat angles P-C4'-P energy: -60.630 tors. eta vs tors. theta energy: -83.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1155.102374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.102374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.102374 (E_RNA) where: Base-Base interactions energy: -775.641 where: short stacking energy: -318.950 Base-Backbone interact. energy: 0.401 local terms energy: -379.862290 where: bonds (distance) C4'-P energy: -74.038 bonds (distance) P-C4' energy: -86.490 flat angles C4'-P-C4' energy: -79.523 flat angles P-C4'-P energy: -57.534 tors. eta vs tors. theta energy: -82.279 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: 9 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -872.100002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.100002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.100002 (E_RNA) where: Base-Base interactions energy: -522.602 where: short stacking energy: -262.202 Base-Backbone interact. energy: -1.929 local terms energy: -347.568798 where: bonds (distance) C4'-P energy: -79.338 bonds (distance) P-C4' energy: -80.006 flat angles C4'-P-C4' energy: -82.170 flat angles P-C4'-P energy: -61.593 tors. eta vs tors. theta energy: -44.462 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: 1 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -725.042957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.042957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.042957 (E_RNA) where: Base-Base interactions energy: -447.113 where: short stacking energy: -230.048 Base-Backbone interact. energy: -1.914 local terms energy: -276.015673 where: bonds (distance) C4'-P energy: -52.478 bonds (distance) P-C4' energy: -81.085 flat angles C4'-P-C4' energy: -72.756 flat angles P-C4'-P energy: -46.444 tors. eta vs tors. theta energy: -23.253 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: 3 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -466.644381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.644381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.644381 (E_RNA) where: Base-Base interactions energy: -187.995 where: short stacking energy: -119.258 Base-Backbone interact. energy: -0.509 local terms energy: -278.140071 where: bonds (distance) C4'-P energy: -83.906 bonds (distance) P-C4' energy: -68.935 flat angles C4'-P-C4' energy: -87.007 flat angles P-C4'-P energy: -43.012 tors. eta vs tors. theta energy: 4.720 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: 6 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1720.965945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.965945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.965945 (E_RNA) where: Base-Base interactions energy: -1183.619 where: short stacking energy: -530.775 Base-Backbone interact. energy: -3.254 local terms energy: -534.093135 where: bonds (distance) C4'-P energy: -101.691 bonds (distance) P-C4' energy: -95.558 flat angles C4'-P-C4' energy: -107.166 flat angles P-C4'-P energy: -67.366 tors. eta vs tors. theta energy: -162.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1641.506943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.506943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.506943 (E_RNA) where: Base-Base interactions energy: -1139.479 where: short stacking energy: -490.867 Base-Backbone interact. energy: -1.698 local terms energy: -500.329466 where: bonds (distance) C4'-P energy: -90.746 bonds (distance) P-C4' energy: -85.348 flat angles C4'-P-C4' energy: -109.418 flat angles P-C4'-P energy: -70.384 tors. eta vs tors. theta energy: -144.433 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: 8 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1615.705355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.705355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.705355 (E_RNA) where: Base-Base interactions energy: -1119.513 where: short stacking energy: -488.134 Base-Backbone interact. energy: 0.160 local terms energy: -496.352219 where: bonds (distance) C4'-P energy: -83.116 bonds (distance) P-C4' energy: -88.927 flat angles C4'-P-C4' energy: -100.360 flat angles P-C4'-P energy: -77.905 tors. eta vs tors. theta energy: -146.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1528.739743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.739743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.739743 (E_RNA) where: Base-Base interactions energy: -1061.297 where: short stacking energy: -425.890 Base-Backbone interact. energy: -2.880 local terms energy: -464.563488 where: bonds (distance) C4'-P energy: -80.553 bonds (distance) P-C4' energy: -89.878 flat angles C4'-P-C4' energy: -105.296 flat angles P-C4'-P energy: -70.420 tors. eta vs tors. theta energy: -118.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1279.725811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.725811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.725811 (E_RNA) where: Base-Base interactions energy: -865.815 where: short stacking energy: -389.371 Base-Backbone interact. energy: -0.271 local terms energy: -413.639494 where: bonds (distance) C4'-P energy: -66.131 bonds (distance) P-C4' energy: -88.512 flat angles C4'-P-C4' energy: -101.336 flat angles P-C4'-P energy: -61.985 tors. eta vs tors. theta energy: -95.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1174.062252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.062252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.062252 (E_RNA) where: Base-Base interactions energy: -796.194 where: short stacking energy: -319.954 Base-Backbone interact. energy: 4.029 local terms energy: -381.897386 where: bonds (distance) C4'-P energy: -67.412 bonds (distance) P-C4' energy: -78.744 flat angles C4'-P-C4' energy: -94.498 flat angles P-C4'-P energy: -67.234 tors. eta vs tors. theta energy: -74.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1140.689990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.689990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.689990 (E_RNA) where: Base-Base interactions energy: -777.104 where: short stacking energy: -345.022 Base-Backbone interact. energy: -1.600 local terms energy: -361.985613 where: bonds (distance) C4'-P energy: -65.481 bonds (distance) P-C4' energy: -77.884 flat angles C4'-P-C4' energy: -85.685 flat angles P-C4'-P energy: -47.869 tors. eta vs tors. theta energy: -85.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -899.650971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.650971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.650971 (E_RNA) where: Base-Base interactions energy: -558.150 where: short stacking energy: -280.052 Base-Backbone interact. energy: 0.549 local terms energy: -342.049829 where: bonds (distance) C4'-P energy: -61.656 bonds (distance) P-C4' energy: -87.066 flat angles C4'-P-C4' energy: -90.059 flat angles P-C4'-P energy: -52.620 tors. eta vs tors. theta energy: -50.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -691.810391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.810391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.810391 (E_RNA) where: Base-Base interactions energy: -409.504 where: short stacking energy: -210.606 Base-Backbone interact. energy: -1.330 local terms energy: -280.975879 where: bonds (distance) C4'-P energy: -74.499 bonds (distance) P-C4' energy: -80.628 flat angles C4'-P-C4' energy: -57.667 flat angles P-C4'-P energy: -36.063 tors. eta vs tors. theta energy: -32.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -449.145800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.145800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.145800 (E_RNA) where: Base-Base interactions energy: -187.319 where: short stacking energy: -133.028 Base-Backbone interact. energy: -1.086 local terms energy: -260.740661 where: bonds (distance) C4'-P energy: -92.408 bonds (distance) P-C4' energy: -92.695 flat angles C4'-P-C4' energy: -47.916 flat angles P-C4'-P energy: -37.262 tors. eta vs tors. theta energy: 9.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1713.441839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.441839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.441839 (E_RNA) where: Base-Base interactions energy: -1162.231 where: short stacking energy: -530.716 Base-Backbone interact. energy: -0.869 local terms energy: -550.341175 where: bonds (distance) C4'-P energy: -95.645 bonds (distance) P-C4' energy: -103.406 flat angles C4'-P-C4' energy: -105.025 flat angles P-C4'-P energy: -89.509 tors. eta vs tors. theta energy: -156.757 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: 239 Temperature: 0.950000 Total energy: -1661.321701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.321701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.321701 (E_RNA) where: Base-Base interactions energy: -1146.406 where: short stacking energy: -498.910 Base-Backbone interact. energy: -0.602 local terms energy: -514.314104 where: bonds (distance) C4'-P energy: -97.615 bonds (distance) P-C4' energy: -97.739 flat angles C4'-P-C4' energy: -95.729 flat angles P-C4'-P energy: -75.949 tors. eta vs tors. theta energy: -147.282 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: 3, replica: 8 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1591.880051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.880051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.880051 (E_RNA) where: Base-Base interactions energy: -1092.670 where: short stacking energy: -480.334 Base-Backbone interact. energy: -0.782 local terms energy: -498.428313 where: bonds (distance) C4'-P energy: -81.332 bonds (distance) P-C4' energy: -101.540 flat angles C4'-P-C4' energy: -109.248 flat angles P-C4'-P energy: -67.948 tors. eta vs tors. theta energy: -138.361 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: 4, replica: 10 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1495.895818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.895818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.895818 (E_RNA) where: Base-Base interactions energy: -1030.363 where: short stacking energy: -436.965 Base-Backbone interact. energy: -3.193 local terms energy: -462.340064 where: bonds (distance) C4'-P energy: -87.643 bonds (distance) P-C4' energy: -90.248 flat angles C4'-P-C4' energy: -96.001 flat angles P-C4'-P energy: -64.821 tors. eta vs tors. theta energy: -123.628 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: 4 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1286.712966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.712966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.712966 (E_RNA) where: Base-Base interactions energy: -892.844 where: short stacking energy: -372.937 Base-Backbone interact. energy: -1.564 local terms energy: -392.305221 where: bonds (distance) C4'-P energy: -77.034 bonds (distance) P-C4' energy: -75.724 flat angles C4'-P-C4' energy: -95.711 flat angles P-C4'-P energy: -67.683 tors. eta vs tors. theta energy: -76.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1226.554208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.554208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.554208 (E_RNA) where: Base-Base interactions energy: -825.983 where: short stacking energy: -359.031 Base-Backbone interact. energy: -1.415 local terms energy: -399.156303 where: bonds (distance) C4'-P energy: -84.136 bonds (distance) P-C4' energy: -76.964 flat angles C4'-P-C4' energy: -98.122 flat angles P-C4'-P energy: -57.254 tors. eta vs tors. theta energy: -82.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1164.524058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.524058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.524058 (E_RNA) where: Base-Base interactions energy: -759.953 where: short stacking energy: -337.628 Base-Backbone interact. energy: 1.155 local terms energy: -405.726058 where: bonds (distance) C4'-P energy: -84.971 bonds (distance) P-C4' energy: -83.647 flat angles C4'-P-C4' energy: -92.188 flat angles P-C4'-P energy: -64.739 tors. eta vs tors. theta energy: -80.181 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: 9 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -895.169874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.169874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.169874 (E_RNA) where: Base-Base interactions energy: -537.638 where: short stacking energy: -228.187 Base-Backbone interact. energy: -1.480 local terms energy: -356.051971 where: bonds (distance) C4'-P energy: -90.178 bonds (distance) P-C4' energy: -85.772 flat angles C4'-P-C4' energy: -77.362 flat angles P-C4'-P energy: -63.934 tors. eta vs tors. theta energy: -38.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -698.661038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.661038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.661038 (E_RNA) where: Base-Base interactions energy: -407.467 where: short stacking energy: -225.963 Base-Backbone interact. energy: 6.558 local terms energy: -297.752081 where: bonds (distance) C4'-P energy: -70.773 bonds (distance) P-C4' energy: -64.238 flat angles C4'-P-C4' energy: -69.692 flat angles P-C4'-P energy: -60.565 tors. eta vs tors. theta energy: -32.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -453.581726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.581726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.581726 (E_RNA) where: Base-Base interactions energy: -202.923 where: short stacking energy: -111.793 Base-Backbone interact. energy: 5.538 local terms energy: -256.197138 where: bonds (distance) C4'-P energy: -69.193 bonds (distance) P-C4' energy: -83.434 flat angles C4'-P-C4' energy: -62.306 flat angles P-C4'-P energy: -54.206 tors. eta vs tors. theta energy: 12.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1713.864493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.864493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.864493 (E_RNA) where: Base-Base interactions energy: -1153.281 where: short stacking energy: -536.446 Base-Backbone interact. energy: -0.512 local terms energy: -560.072230 where: bonds (distance) C4'-P energy: -107.914 bonds (distance) P-C4' energy: -94.737 flat angles C4'-P-C4' energy: -108.669 flat angles P-C4'-P energy: -85.470 tors. eta vs tors. theta energy: -163.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1634.021960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.021960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.021960 (E_RNA) where: Base-Base interactions energy: -1121.793 where: short stacking energy: -492.925 Base-Backbone interact. energy: -0.644 local terms energy: -511.584437 where: bonds (distance) C4'-P energy: -89.468 bonds (distance) P-C4' energy: -99.680 flat angles C4'-P-C4' energy: -104.311 flat angles P-C4'-P energy: -73.395 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: 3, replica: 8 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1578.307349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.307349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.307349 (E_RNA) where: Base-Base interactions energy: -1083.948 where: short stacking energy: -490.069 Base-Backbone interact. energy: -0.948 local terms energy: -493.411406 where: bonds (distance) C4'-P energy: -80.826 bonds (distance) P-C4' energy: -94.675 flat angles C4'-P-C4' energy: -109.353 flat angles P-C4'-P energy: -74.716 tors. eta vs tors. theta energy: -133.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1551.541113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.541113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.541113 (E_RNA) where: Base-Base interactions energy: -1122.470 where: short stacking energy: -433.915 Base-Backbone interact. energy: -0.408 local terms energy: -428.663733 where: bonds (distance) C4'-P energy: -74.071 bonds (distance) P-C4' energy: -84.687 flat angles C4'-P-C4' energy: -94.824 flat angles P-C4'-P energy: -57.865 tors. eta vs tors. theta energy: -117.216 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: 4 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1353.821239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.821239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.821239 (E_RNA) where: Base-Base interactions energy: -946.832 where: short stacking energy: -379.055 Base-Backbone interact. energy: -2.690 local terms energy: -404.299265 where: bonds (distance) C4'-P energy: -74.995 bonds (distance) P-C4' energy: -73.405 flat angles C4'-P-C4' energy: -102.893 flat angles P-C4'-P energy: -55.941 tors. eta vs tors. theta energy: -97.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1229.975329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.975329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.975329 (E_RNA) where: Base-Base interactions energy: -811.759 where: short stacking energy: -362.346 Base-Backbone interact. energy: -2.443 local terms energy: -415.773002 where: bonds (distance) C4'-P energy: -95.863 bonds (distance) P-C4' energy: -74.255 flat angles C4'-P-C4' energy: -96.693 flat angles P-C4'-P energy: -59.322 tors. eta vs tors. theta energy: -89.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1103.817591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.817591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.817591 (E_RNA) where: Base-Base interactions energy: -722.890 where: short stacking energy: -302.439 Base-Backbone interact. energy: -1.686 local terms energy: -379.241285 where: bonds (distance) C4'-P energy: -76.389 bonds (distance) P-C4' energy: -87.766 flat angles C4'-P-C4' energy: -94.069 flat angles P-C4'-P energy: -44.604 tors. eta vs tors. theta energy: -76.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -875.373112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.373112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.373112 (E_RNA) where: Base-Base interactions energy: -518.347 where: short stacking energy: -258.485 Base-Backbone interact. energy: 0.819 local terms energy: -357.845032 where: bonds (distance) C4'-P energy: -81.921 bonds (distance) P-C4' energy: -87.114 flat angles C4'-P-C4' energy: -85.086 flat angles P-C4'-P energy: -50.829 tors. eta vs tors. theta energy: -52.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -719.164017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.164017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.164017 (E_RNA) where: Base-Base interactions energy: -402.206 where: short stacking energy: -195.320 Base-Backbone interact. energy: -0.983 local terms energy: -315.975242 where: bonds (distance) C4'-P energy: -78.770 bonds (distance) P-C4' energy: -83.046 flat angles C4'-P-C4' energy: -79.038 flat angles P-C4'-P energy: -60.354 tors. eta vs tors. theta energy: -14.766 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: 3 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -445.974016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.974016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.974016 (E_RNA) where: Base-Base interactions energy: -196.669 where: short stacking energy: -117.002 Base-Backbone interact. energy: 4.865 local terms energy: -254.170434 where: bonds (distance) C4'-P energy: -85.745 bonds (distance) P-C4' energy: -95.423 flat angles C4'-P-C4' energy: -74.867 flat angles P-C4'-P energy: -17.682 tors. eta vs tors. theta energy: 19.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1713.753031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.753031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.753031 (E_RNA) where: Base-Base interactions energy: -1140.671 where: short stacking energy: -520.003 Base-Backbone interact. energy: -1.038 local terms energy: -572.044579 where: bonds (distance) C4'-P energy: -104.221 bonds (distance) P-C4' energy: -106.160 flat angles C4'-P-C4' energy: -116.147 flat angles P-C4'-P energy: -81.696 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: 2, replica: 2 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1635.564058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.564058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.564058 (E_RNA) where: Base-Base interactions energy: -1131.216 where: short stacking energy: -485.348 Base-Backbone interact. energy: 0.744 local terms energy: -505.092493 where: bonds (distance) C4'-P energy: -84.312 bonds (distance) P-C4' energy: -87.422 flat angles C4'-P-C4' energy: -113.368 flat angles P-C4'-P energy: -67.996 tors. eta vs tors. theta energy: -151.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1600.120228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.120228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.120228 (E_RNA) where: Base-Base interactions energy: -1094.613 where: short stacking energy: -486.369 Base-Backbone interact. energy: -0.625 local terms energy: -504.882075 where: bonds (distance) C4'-P energy: -104.212 bonds (distance) P-C4' energy: -90.802 flat angles C4'-P-C4' energy: -97.574 flat angles P-C4'-P energy: -79.906 tors. eta vs tors. theta energy: -132.388 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: 10 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1546.018596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.018596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.018596 (E_RNA) where: Base-Base interactions energy: -1079.878 where: short stacking energy: -435.465 Base-Backbone interact. energy: -1.665 local terms energy: -464.475837 where: bonds (distance) C4'-P energy: -91.510 bonds (distance) P-C4' energy: -89.572 flat angles C4'-P-C4' energy: -110.373 flat angles P-C4'-P energy: -62.869 tors. eta vs tors. theta energy: -110.151 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: 4 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1334.624722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.624722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.624722 (E_RNA) where: Base-Base interactions energy: -922.243 where: short stacking energy: -371.385 Base-Backbone interact. energy: -3.418 local terms energy: -408.963074 where: bonds (distance) C4'-P energy: -79.109 bonds (distance) P-C4' energy: -88.627 flat angles C4'-P-C4' energy: -91.734 flat angles P-C4'-P energy: -63.120 tors. eta vs tors. theta energy: -86.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1270.891094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.891094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.891094 (E_RNA) where: Base-Base interactions energy: -820.226 where: short stacking energy: -360.212 Base-Backbone interact. energy: 0.918 local terms energy: -451.582974 where: bonds (distance) C4'-P energy: -88.932 bonds (distance) P-C4' energy: -95.028 flat angles C4'-P-C4' energy: -106.956 flat angles P-C4'-P energy: -60.959 tors. eta vs tors. theta energy: -99.708 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: 7 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1099.924144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.924144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.924144 (E_RNA) where: Base-Base interactions energy: -740.135 where: short stacking energy: -325.034 Base-Backbone interact. energy: -2.125 local terms energy: -357.664085 where: bonds (distance) C4'-P energy: -70.125 bonds (distance) P-C4' energy: -79.683 flat angles C4'-P-C4' energy: -87.391 flat angles P-C4'-P energy: -56.427 tors. eta vs tors. theta energy: -64.039 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: 8, replica: 9 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -876.325640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.325640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.325640 (E_RNA) where: Base-Base interactions energy: -560.015 where: short stacking energy: -241.526 Base-Backbone interact. energy: 0.615 local terms energy: -316.925897 where: bonds (distance) C4'-P energy: -77.200 bonds (distance) P-C4' energy: -88.712 flat angles C4'-P-C4' energy: -76.358 flat angles P-C4'-P energy: -42.122 tors. eta vs tors. theta energy: -32.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -730.299197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.299197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.299197 (E_RNA) where: Base-Base interactions energy: -427.702 where: short stacking energy: -215.367 Base-Backbone interact. energy: 6.306 local terms energy: -308.902869 where: bonds (distance) C4'-P energy: -78.448 bonds (distance) P-C4' energy: -84.124 flat angles C4'-P-C4' energy: -70.668 flat angles P-C4'-P energy: -49.651 tors. eta vs tors. theta energy: -26.012 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: 3 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -453.573175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.573175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.573175 (E_RNA) where: Base-Base interactions energy: -198.759 where: short stacking energy: -141.838 Base-Backbone interact. energy: -1.131 local terms energy: -253.683080 where: bonds (distance) C4'-P energy: -82.135 bonds (distance) P-C4' energy: -66.212 flat angles C4'-P-C4' energy: -80.460 flat angles P-C4'-P energy: -36.638 tors. eta vs tors. theta energy: 11.762 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: 1, replica: 2 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1653.017621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.017621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.017621 (E_RNA) where: Base-Base interactions energy: -1134.178 where: short stacking energy: -496.716 Base-Backbone interact. energy: -2.052 local terms energy: -516.787535 where: bonds (distance) C4'-P energy: -89.523 bonds (distance) P-C4' energy: -93.201 flat angles C4'-P-C4' energy: -110.932 flat angles P-C4'-P energy: -74.613 tors. eta vs tors. theta energy: -148.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1666.954569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.954569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.954569 (E_RNA) where: Base-Base interactions energy: -1132.041 where: short stacking energy: -527.081 Base-Backbone interact. energy: 1.628 local terms energy: -536.541306 where: bonds (distance) C4'-P energy: -96.191 bonds (distance) P-C4' energy: -94.318 flat angles C4'-P-C4' energy: -114.348 flat angles P-C4'-P energy: -80.711 tors. eta vs tors. theta energy: -150.973 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: 8 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1627.326770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.326770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.326770 (E_RNA) where: Base-Base interactions energy: -1129.186 where: short stacking energy: -507.977 Base-Backbone interact. energy: 2.580 local terms energy: -500.720617 where: bonds (distance) C4'-P energy: -87.933 bonds (distance) P-C4' energy: -101.438 flat angles C4'-P-C4' energy: -99.792 flat angles P-C4'-P energy: -64.814 tors. eta vs tors. theta energy: -146.744 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: 10 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1533.665695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.665695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.665695 (E_RNA) where: Base-Base interactions energy: -1070.215 where: short stacking energy: -455.160 Base-Backbone interact. energy: -0.517 local terms energy: -462.933249 where: bonds (distance) C4'-P energy: -86.265 bonds (distance) P-C4' energy: -80.830 flat angles C4'-P-C4' energy: -105.356 flat angles P-C4'-P energy: -59.618 tors. eta vs tors. theta energy: -130.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -1350.318710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.318710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.318710 (E_RNA) where: Base-Base interactions energy: -929.106 where: short stacking energy: -383.518 Base-Backbone interact. energy: -2.041 local terms energy: -419.171295 where: bonds (distance) C4'-P energy: -97.593 bonds (distance) P-C4' energy: -88.040 flat angles C4'-P-C4' energy: -88.442 flat angles P-C4'-P energy: -57.535 tors. eta vs tors. theta energy: -87.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1312.988800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.988800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.988800 (E_RNA) where: Base-Base interactions energy: -888.561 where: short stacking energy: -362.097 Base-Backbone interact. energy: -0.454 local terms energy: -423.973615 where: bonds (distance) C4'-P energy: -70.355 bonds (distance) P-C4' energy: -91.394 flat angles C4'-P-C4' energy: -105.600 flat angles P-C4'-P energy: -63.971 tors. eta vs tors. theta energy: -92.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1104.409486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.409486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.409486 (E_RNA) where: Base-Base interactions energy: -730.279 where: short stacking energy: -323.972 Base-Backbone interact. energy: -1.303 local terms energy: -372.827118 where: bonds (distance) C4'-P energy: -75.773 bonds (distance) P-C4' energy: -77.579 flat angles C4'-P-C4' energy: -86.518 flat angles P-C4'-P energy: -58.645 tors. eta vs tors. theta energy: -74.313 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: 9 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -850.050754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.050754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.050754 (E_RNA) where: Base-Base interactions energy: -525.629 where: short stacking energy: -259.939 Base-Backbone interact. energy: -1.071 local terms energy: -323.350935 where: bonds (distance) C4'-P energy: -72.045 bonds (distance) P-C4' energy: -80.075 flat angles C4'-P-C4' energy: -87.470 flat angles P-C4'-P energy: -46.494 tors. eta vs tors. theta energy: -37.268 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: 1 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -714.108556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.108556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.108556 (E_RNA) where: Base-Base interactions energy: -404.153 where: short stacking energy: -201.847 Base-Backbone interact. energy: -1.643 local terms energy: -308.312524 where: bonds (distance) C4'-P energy: -84.950 bonds (distance) P-C4' energy: -84.516 flat angles C4'-P-C4' energy: -77.660 flat angles P-C4'-P energy: -45.756 tors. eta vs tors. theta energy: -15.431 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: 3 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -501.266753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.266753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.266753 (E_RNA) where: Base-Base interactions energy: -241.124 where: short stacking energy: -150.930 Base-Backbone interact. energy: -0.243 local terms energy: -259.899119 where: bonds (distance) C4'-P energy: -64.431 bonds (distance) P-C4' energy: -89.923 flat angles C4'-P-C4' energy: -73.788 flat angles P-C4'-P energy: -44.361 tors. eta vs tors. theta energy: 12.604 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: 1, replica: 2 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1655.165198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.165198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.165198 (E_RNA) where: Base-Base interactions energy: -1145.079 where: short stacking energy: -488.554 Base-Backbone interact. energy: -1.410 local terms energy: -508.676086 where: bonds (distance) C4'-P energy: -89.207 bonds (distance) P-C4' energy: -92.675 flat angles C4'-P-C4' energy: -113.861 flat angles P-C4'-P energy: -70.401 tors. eta vs tors. theta energy: -142.531 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: 6 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1660.809661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.809661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.809661 (E_RNA) where: Base-Base interactions energy: -1132.045 where: short stacking energy: -531.494 Base-Backbone interact. energy: 0.698 local terms energy: -529.463019 where: bonds (distance) C4'-P energy: -85.402 bonds (distance) P-C4' energy: -98.047 flat angles C4'-P-C4' energy: -107.925 flat angles P-C4'-P energy: -81.337 tors. eta vs tors. theta energy: -156.751 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: 8 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1623.750004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.750004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.750004 (E_RNA) where: Base-Base interactions energy: -1124.784 where: short stacking energy: -489.049 Base-Backbone interact. energy: -1.748 local terms energy: -497.217701 where: bonds (distance) C4'-P energy: -86.154 bonds (distance) P-C4' energy: -87.014 flat angles C4'-P-C4' energy: -107.983 flat angles P-C4'-P energy: -71.891 tors. eta vs tors. theta energy: -144.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1541.152941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.152941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.152941 (E_RNA) where: Base-Base interactions energy: -1078.430 where: short stacking energy: -438.263 Base-Backbone interact. energy: -3.731 local terms energy: -458.991305 where: bonds (distance) C4'-P energy: -79.111 bonds (distance) P-C4' energy: -97.503 flat angles C4'-P-C4' energy: -89.535 flat angles P-C4'-P energy: -62.329 tors. eta vs tors. theta energy: -130.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -1318.915840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.915840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.915840 (E_RNA) where: Base-Base interactions energy: -876.782 where: short stacking energy: -391.620 Base-Backbone interact. energy: -0.022 local terms energy: -442.111398 where: bonds (distance) C4'-P energy: -101.590 bonds (distance) P-C4' energy: -87.594 flat angles C4'-P-C4' energy: -91.019 flat angles P-C4'-P energy: -71.737 tors. eta vs tors. theta energy: -90.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1248.320337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.320337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.320337 (E_RNA) where: Base-Base interactions energy: -854.567 where: short stacking energy: -381.736 Base-Backbone interact. energy: -0.652 local terms energy: -393.102019 where: bonds (distance) C4'-P energy: -81.516 bonds (distance) P-C4' energy: -84.120 flat angles C4'-P-C4' energy: -89.657 flat angles P-C4'-P energy: -41.264 tors. eta vs tors. theta energy: -96.546 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: 7 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1130.153438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.153438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.153438 (E_RNA) where: Base-Base interactions energy: -741.257 where: short stacking energy: -313.228 Base-Backbone interact. energy: -0.270 local terms energy: -388.626697 where: bonds (distance) C4'-P energy: -74.154 bonds (distance) P-C4' energy: -84.850 flat angles C4'-P-C4' energy: -92.210 flat angles P-C4'-P energy: -61.496 tors. eta vs tors. theta energy: -75.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -854.376601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.376601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.376601 (E_RNA) where: Base-Base interactions energy: -505.117 where: short stacking energy: -233.619 Base-Backbone interact. energy: -1.262 local terms energy: -347.997591 where: bonds (distance) C4'-P energy: -79.405 bonds (distance) P-C4' energy: -100.935 flat angles C4'-P-C4' energy: -75.467 flat angles P-C4'-P energy: -54.133 tors. eta vs tors. theta energy: -38.059 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: 1 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -784.185614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.185614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.185614 (E_RNA) where: Base-Base interactions energy: -497.230 where: short stacking energy: -270.489 Base-Backbone interact. energy: -2.329 local terms energy: -284.626567 where: bonds (distance) C4'-P energy: -67.932 bonds (distance) P-C4' energy: -69.357 flat angles C4'-P-C4' energy: -69.226 flat angles P-C4'-P energy: -31.210 tors. eta vs tors. theta energy: -46.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -480.349095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.349095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.349095 (E_RNA) where: Base-Base interactions energy: -215.695 where: short stacking energy: -127.402 Base-Backbone interact. energy: -2.618 local terms energy: -262.035708 where: bonds (distance) C4'-P energy: -74.851 bonds (distance) P-C4' energy: -96.592 flat angles C4'-P-C4' energy: -68.795 flat angles P-C4'-P energy: -27.988 tors. eta vs tors. theta energy: 6.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1707.256060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.256060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.256060 (E_RNA) where: Base-Base interactions energy: -1174.413 where: short stacking energy: -547.127 Base-Backbone interact. energy: -1.118 local terms energy: -531.724815 where: bonds (distance) C4'-P energy: -94.682 bonds (distance) P-C4' energy: -93.875 flat angles C4'-P-C4' energy: -113.207 flat angles P-C4'-P energy: -72.071 tors. eta vs tors. theta energy: -157.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1635.728989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.728989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.728989 (E_RNA) where: Base-Base interactions energy: -1126.179 where: short stacking energy: -483.558 Base-Backbone interact. energy: -2.999 local terms energy: -506.551029 where: bonds (distance) C4'-P energy: -101.307 bonds (distance) P-C4' energy: -93.938 flat angles C4'-P-C4' energy: -109.844 flat angles P-C4'-P energy: -67.200 tors. eta vs tors. theta energy: -134.263 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: 8 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1641.002714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.002714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.002714 (E_RNA) where: Base-Base interactions energy: -1118.139 where: short stacking energy: -494.298 Base-Backbone interact. energy: -1.887 local terms energy: -520.976336 where: bonds (distance) C4'-P energy: -96.806 bonds (distance) P-C4' energy: -90.806 flat angles C4'-P-C4' energy: -108.517 flat angles P-C4'-P energy: -80.002 tors. eta vs tors. theta energy: -144.846 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: 10 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1553.432305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.432305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.432305 (E_RNA) where: Base-Base interactions energy: -1077.970 where: short stacking energy: -454.071 Base-Backbone interact. energy: -0.000 local terms energy: -475.462082 where: bonds (distance) C4'-P energy: -82.086 bonds (distance) P-C4' energy: -97.563 flat angles C4'-P-C4' energy: -92.586 flat angles P-C4'-P energy: -67.650 tors. eta vs tors. theta energy: -135.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -1357.778510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.778510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.778510 (E_RNA) where: Base-Base interactions energy: -936.948 where: short stacking energy: -391.910 Base-Backbone interact. energy: -2.935 local terms energy: -417.895263 where: bonds (distance) C4'-P energy: -87.713 bonds (distance) P-C4' energy: -89.126 flat angles C4'-P-C4' energy: -90.696 flat angles P-C4'-P energy: -60.493 tors. eta vs tors. theta energy: -89.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1249.753669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.753669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.753669 (E_RNA) where: Base-Base interactions energy: -842.945 where: short stacking energy: -363.996 Base-Backbone interact. energy: -2.347 local terms energy: -404.461345 where: bonds (distance) C4'-P energy: -63.038 bonds (distance) P-C4' energy: -90.569 flat angles C4'-P-C4' energy: -93.797 flat angles P-C4'-P energy: -68.778 tors. eta vs tors. theta energy: -88.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1137.264615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.264615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.264615 (E_RNA) where: Base-Base interactions energy: -763.156 where: short stacking energy: -336.882 Base-Backbone interact. energy: 3.307 local terms energy: -377.414889 where: bonds (distance) C4'-P energy: -90.864 bonds (distance) P-C4' energy: -79.067 flat angles C4'-P-C4' energy: -99.023 flat angles P-C4'-P energy: -45.836 tors. eta vs tors. theta energy: -62.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -894.892393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.892393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.892393 (E_RNA) where: Base-Base interactions energy: -581.118 where: short stacking energy: -258.783 Base-Backbone interact. energy: 2.771 local terms energy: -316.545090 where: bonds (distance) C4'-P energy: -68.293 bonds (distance) P-C4' energy: -70.604 flat angles C4'-P-C4' energy: -82.079 flat angles P-C4'-P energy: -44.920 tors. eta vs tors. theta energy: -50.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -753.189188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.189188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.189188 (E_RNA) where: Base-Base interactions energy: -434.532 where: short stacking energy: -211.628 Base-Backbone interact. energy: -1.173 local terms energy: -317.483664 where: bonds (distance) C4'-P energy: -93.124 bonds (distance) P-C4' energy: -83.309 flat angles C4'-P-C4' energy: -73.858 flat angles P-C4'-P energy: -37.763 tors. eta vs tors. theta energy: -29.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -457.499264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.499264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.499264 (E_RNA) where: Base-Base interactions energy: -219.923 where: short stacking energy: -123.205 Base-Backbone interact. energy: -0.278 local terms energy: -237.298502 where: bonds (distance) C4'-P energy: -75.349 bonds (distance) P-C4' energy: -85.630 flat angles C4'-P-C4' energy: -59.131 flat angles P-C4'-P energy: -40.413 tors. eta vs tors. theta energy: 23.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1708.526981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.526981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.526981 (E_RNA) where: Base-Base interactions energy: -1160.117 where: short stacking energy: -528.240 Base-Backbone interact. energy: -1.385 local terms energy: -547.025391 where: bonds (distance) C4'-P energy: -91.734 bonds (distance) P-C4' energy: -87.295 flat angles C4'-P-C4' energy: -119.998 flat angles P-C4'-P energy: -85.485 tors. eta vs tors. theta energy: -162.514 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: 245 Temperature: 0.950000 Total energy: -1654.378506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.378506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.378506 (E_RNA) where: Base-Base interactions energy: -1125.520 where: short stacking energy: -492.345 Base-Backbone interact. energy: -0.208 local terms energy: -528.651079 where: bonds (distance) C4'-P energy: -95.063 bonds (distance) P-C4' energy: -92.753 flat angles C4'-P-C4' energy: -108.471 flat angles P-C4'-P energy: -80.181 tors. eta vs tors. theta energy: -152.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1625.816166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.816166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.816166 (E_RNA) where: Base-Base interactions energy: -1127.093 where: short stacking energy: -472.357 Base-Backbone interact. energy: 1.380 local terms energy: -500.103347 where: bonds (distance) C4'-P energy: -86.891 bonds (distance) P-C4' energy: -94.969 flat angles C4'-P-C4' energy: -99.648 flat angles P-C4'-P energy: -70.291 tors. eta vs tors. theta energy: -148.304 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: 10 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1539.161415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.161415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.161415 (E_RNA) where: Base-Base interactions energy: -1053.070 where: short stacking energy: -444.601 Base-Backbone interact. energy: -2.303 local terms energy: -483.788898 where: bonds (distance) C4'-P energy: -87.356 bonds (distance) P-C4' energy: -83.295 flat angles C4'-P-C4' energy: -103.952 flat angles P-C4'-P energy: -73.914 tors. eta vs tors. theta energy: -135.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1333.939365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.939365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.939365 (E_RNA) where: Base-Base interactions energy: -908.944 where: short stacking energy: -381.209 Base-Backbone interact. energy: -2.828 local terms energy: -422.166624 where: bonds (distance) C4'-P energy: -83.918 bonds (distance) P-C4' energy: -87.678 flat angles C4'-P-C4' energy: -91.181 flat angles P-C4'-P energy: -59.933 tors. eta vs tors. theta energy: -99.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1282.632620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.632620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.632620 (E_RNA) where: Base-Base interactions energy: -865.472 where: short stacking energy: -374.268 Base-Backbone interact. energy: -0.983 local terms energy: -416.177931 where: bonds (distance) C4'-P energy: -74.779 bonds (distance) P-C4' energy: -87.336 flat angles C4'-P-C4' energy: -93.674 flat angles P-C4'-P energy: -65.113 tors. eta vs tors. theta energy: -95.277 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: 7 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1157.393859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.393859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.393859 (E_RNA) where: Base-Base interactions energy: -759.905 where: short stacking energy: -311.933 Base-Backbone interact. energy: 2.582 local terms energy: -400.071468 where: bonds (distance) C4'-P energy: -86.385 bonds (distance) P-C4' energy: -78.458 flat angles C4'-P-C4' energy: -102.125 flat angles P-C4'-P energy: -58.829 tors. eta vs tors. theta energy: -74.275 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: 9 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -880.147336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.147336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.147336 (E_RNA) where: Base-Base interactions energy: -506.654 where: short stacking energy: -237.911 Base-Backbone interact. energy: -2.760 local terms energy: -370.733312 where: bonds (distance) C4'-P energy: -92.477 bonds (distance) P-C4' energy: -93.942 flat angles C4'-P-C4' energy: -90.963 flat angles P-C4'-P energy: -51.966 tors. eta vs tors. theta energy: -41.386 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: 1 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -750.267134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.267134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.267134 (E_RNA) where: Base-Base interactions energy: -440.497 where: short stacking energy: -219.495 Base-Backbone interact. energy: -0.375 local terms energy: -309.395535 where: bonds (distance) C4'-P energy: -87.192 bonds (distance) P-C4' energy: -87.623 flat angles C4'-P-C4' energy: -73.305 flat angles P-C4'-P energy: -39.176 tors. eta vs tors. theta energy: -22.099 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: 3 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -451.156288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.156288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.156288 (E_RNA) where: Base-Base interactions energy: -208.056 where: short stacking energy: -135.574 Base-Backbone interact. energy: 1.276 local terms energy: -244.376365 where: bonds (distance) C4'-P energy: -77.814 bonds (distance) P-C4' energy: -71.855 flat angles C4'-P-C4' energy: -67.642 flat angles P-C4'-P energy: -38.180 tors. eta vs tors. theta energy: 11.114 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: 1, replica: 2 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1676.103772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.103772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.103772 (E_RNA) where: Base-Base interactions energy: -1156.165 where: short stacking energy: -502.478 Base-Backbone interact. energy: -1.086 local terms energy: -518.852424 where: bonds (distance) C4'-P energy: -93.628 bonds (distance) P-C4' energy: -98.861 flat angles C4'-P-C4' energy: -100.413 flat angles P-C4'-P energy: -70.154 tors. eta vs tors. theta energy: -155.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1686.668042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.668042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.668042 (E_RNA) where: Base-Base interactions energy: -1136.101 where: short stacking energy: -544.264 Base-Backbone interact. energy: 0.154 local terms energy: -550.721580 where: bonds (distance) C4'-P energy: -101.567 bonds (distance) P-C4' energy: -94.993 flat angles C4'-P-C4' energy: -119.780 flat angles P-C4'-P energy: -70.432 tors. eta vs tors. theta energy: -163.949 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: 3, replica: 8 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1639.429355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.429355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.429355 (E_RNA) where: Base-Base interactions energy: -1117.442 where: short stacking energy: -480.944 Base-Backbone interact. energy: 0.136 local terms energy: -522.123256 where: bonds (distance) C4'-P energy: -100.264 bonds (distance) P-C4' energy: -95.311 flat angles C4'-P-C4' energy: -110.319 flat angles P-C4'-P energy: -68.482 tors. eta vs tors. theta energy: -147.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1565.323852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.323852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.323852 (E_RNA) where: Base-Base interactions energy: -1098.148 where: short stacking energy: -440.675 Base-Backbone interact. energy: 1.044 local terms energy: -468.219797 where: bonds (distance) C4'-P energy: -90.239 bonds (distance) P-C4' energy: -70.252 flat angles C4'-P-C4' energy: -112.372 flat angles P-C4'-P energy: -71.243 tors. eta vs tors. theta energy: -124.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1342.247333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.247333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.247333 (E_RNA) where: Base-Base interactions energy: -912.057 where: short stacking energy: -385.659 Base-Backbone interact. energy: 0.472 local terms energy: -430.661629 where: bonds (distance) C4'-P energy: -91.253 bonds (distance) P-C4' energy: -89.551 flat angles C4'-P-C4' energy: -87.756 flat angles P-C4'-P energy: -57.834 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: 6, replica: 5 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1231.349094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.349094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.349094 (E_RNA) where: Base-Base interactions energy: -826.810 where: short stacking energy: -389.899 Base-Backbone interact. energy: 1.628 local terms energy: -406.167790 where: bonds (distance) C4'-P energy: -72.035 bonds (distance) P-C4' energy: -87.490 flat angles C4'-P-C4' energy: -89.822 flat angles P-C4'-P energy: -62.808 tors. eta vs tors. theta energy: -94.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1122.370173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.370173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.370173 (E_RNA) where: Base-Base interactions energy: -743.536 where: short stacking energy: -302.083 Base-Backbone interact. energy: 4.430 local terms energy: -383.264578 where: bonds (distance) C4'-P energy: -88.735 bonds (distance) P-C4' energy: -88.817 flat angles C4'-P-C4' energy: -76.727 flat angles P-C4'-P energy: -58.613 tors. eta vs tors. theta energy: -70.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -884.374293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.374293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.374293 (E_RNA) where: Base-Base interactions energy: -560.791 where: short stacking energy: -280.373 Base-Backbone interact. energy: -1.664 local terms energy: -321.918980 where: bonds (distance) C4'-P energy: -63.653 bonds (distance) P-C4' energy: -83.424 flat angles C4'-P-C4' energy: -76.390 flat angles P-C4'-P energy: -52.090 tors. eta vs tors. theta energy: -46.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -787.066603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.066603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.066603 (E_RNA) where: Base-Base interactions energy: -468.525 where: short stacking energy: -229.992 Base-Backbone interact. energy: -1.324 local terms energy: -317.217170 where: bonds (distance) C4'-P energy: -87.487 bonds (distance) P-C4' energy: -67.467 flat angles C4'-P-C4' energy: -81.978 flat angles P-C4'-P energy: -51.054 tors. eta vs tors. theta energy: -29.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -369.630362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.630362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.630362 (E_RNA) where: Base-Base interactions energy: -120.072 where: short stacking energy: -98.905 Base-Backbone interact. energy: -0.944 local terms energy: -248.614418 where: bonds (distance) C4'-P energy: -73.819 bonds (distance) P-C4' energy: -91.710 flat angles C4'-P-C4' energy: -61.988 flat angles P-C4'-P energy: -37.206 tors. eta vs tors. theta energy: 16.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1665.164539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.164539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.164539 (E_RNA) where: Base-Base interactions energy: -1158.511 where: short stacking energy: -496.327 Base-Backbone interact. energy: -0.680 local terms energy: -505.972695 where: bonds (distance) C4'-P energy: -90.401 bonds (distance) P-C4' energy: -100.933 flat angles C4'-P-C4' energy: -111.226 flat angles P-C4'-P energy: -61.254 tors. eta vs tors. theta energy: -142.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1709.053497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.053497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.053497 (E_RNA) where: Base-Base interactions energy: -1152.345 where: short stacking energy: -526.299 Base-Backbone interact. energy: -0.177 local terms energy: -556.531888 where: bonds (distance) C4'-P energy: -99.108 bonds (distance) P-C4' energy: -110.149 flat angles C4'-P-C4' energy: -112.197 flat angles P-C4'-P energy: -71.131 tors. eta vs tors. theta energy: -163.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1633.900199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.900199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.900199 (E_RNA) where: Base-Base interactions energy: -1099.725 where: short stacking energy: -480.287 Base-Backbone interact. energy: -1.576 local terms energy: -532.599415 where: bonds (distance) C4'-P energy: -103.083 bonds (distance) P-C4' energy: -98.757 flat angles C4'-P-C4' energy: -102.893 flat angles P-C4'-P energy: -72.401 tors. eta vs tors. theta energy: -155.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1555.069106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.069106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.069106 (E_RNA) where: Base-Base interactions energy: -1089.531 where: short stacking energy: -430.327 Base-Backbone interact. energy: 1.637 local terms energy: -467.174904 where: bonds (distance) C4'-P energy: -82.704 bonds (distance) P-C4' energy: -83.098 flat angles C4'-P-C4' energy: -108.156 flat angles P-C4'-P energy: -65.880 tors. eta vs tors. theta energy: -127.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -1367.970665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.970665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.970665 (E_RNA) where: Base-Base interactions energy: -945.371 where: short stacking energy: -377.926 Base-Backbone interact. energy: 0.154 local terms energy: -422.753557 where: bonds (distance) C4'-P energy: -84.512 bonds (distance) P-C4' energy: -88.004 flat angles C4'-P-C4' energy: -84.026 flat angles P-C4'-P energy: -66.219 tors. eta vs tors. theta energy: -99.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1261.025334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.025334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.025334 (E_RNA) where: Base-Base interactions energy: -866.290 where: short stacking energy: -382.822 Base-Backbone interact. energy: -0.049 local terms energy: -394.686259 where: bonds (distance) C4'-P energy: -78.218 bonds (distance) P-C4' energy: -69.518 flat angles C4'-P-C4' energy: -99.009 flat angles P-C4'-P energy: -59.100 tors. eta vs tors. theta energy: -88.841 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: 7 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1092.446865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.446865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.446865 (E_RNA) where: Base-Base interactions energy: -726.202 where: short stacking energy: -309.506 Base-Backbone interact. energy: -3.108 local terms energy: -363.136634 where: bonds (distance) C4'-P energy: -65.855 bonds (distance) P-C4' energy: -77.330 flat angles C4'-P-C4' energy: -86.290 flat angles P-C4'-P energy: -67.035 tors. eta vs tors. theta energy: -66.626 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: 247 Temperature: 1.250000 Total energy: -827.129759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.129759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.129759 (E_RNA) where: Base-Base interactions energy: -477.514 where: short stacking energy: -254.213 Base-Backbone interact. energy: 2.843 local terms energy: -352.459519 where: bonds (distance) C4'-P energy: -77.591 bonds (distance) P-C4' energy: -83.732 flat angles C4'-P-C4' energy: -77.599 flat angles P-C4'-P energy: -61.397 tors. eta vs tors. theta energy: -52.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -747.384120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.384120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.384120 (E_RNA) where: Base-Base interactions energy: -451.306 where: short stacking energy: -216.917 Base-Backbone interact. energy: -0.501 local terms energy: -295.577342 where: bonds (distance) C4'-P energy: -84.133 bonds (distance) P-C4' energy: -95.825 flat angles C4'-P-C4' energy: -57.583 flat angles P-C4'-P energy: -43.132 tors. eta vs tors. theta energy: -14.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -388.432445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.432445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.432445 (E_RNA) where: Base-Base interactions energy: -160.533 where: short stacking energy: -122.275 Base-Backbone interact. energy: 6.512 local terms energy: -234.411924 where: bonds (distance) C4'-P energy: -74.072 bonds (distance) P-C4' energy: -82.128 flat angles C4'-P-C4' energy: -59.106 flat angles P-C4'-P energy: -24.888 tors. eta vs tors. theta energy: 5.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1721.309905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.309905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.309905 (E_RNA) where: Base-Base interactions energy: -1181.246 where: short stacking energy: -521.011 Base-Backbone interact. energy: -0.342 local terms energy: -539.722338 where: bonds (distance) C4'-P energy: -88.786 bonds (distance) P-C4' energy: -90.896 flat angles C4'-P-C4' energy: -112.785 flat angles P-C4'-P energy: -81.694 tors. eta vs tors. theta energy: -165.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1641.644742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.644742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.644742 (E_RNA) where: Base-Base interactions energy: -1129.115 where: short stacking energy: -491.808 Base-Backbone interact. energy: -3.443 local terms energy: -509.086719 where: bonds (distance) C4'-P energy: -99.337 bonds (distance) P-C4' energy: -98.611 flat angles C4'-P-C4' energy: -107.205 flat angles P-C4'-P energy: -57.425 tors. eta vs tors. theta energy: -146.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1628.285869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.285869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.285869 (E_RNA) where: Base-Base interactions energy: -1112.145 where: short stacking energy: -472.747 Base-Backbone interact. energy: -0.916 local terms energy: -515.224821 where: bonds (distance) C4'-P energy: -93.000 bonds (distance) P-C4' energy: -101.184 flat angles C4'-P-C4' energy: -110.847 flat angles P-C4'-P energy: -66.086 tors. eta vs tors. theta energy: -144.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1532.689592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.689592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.689592 (E_RNA) where: Base-Base interactions energy: -1047.269 where: short stacking energy: -430.997 Base-Backbone interact. energy: -0.305 local terms energy: -485.115390 where: bonds (distance) C4'-P energy: -78.043 bonds (distance) P-C4' energy: -100.878 flat angles C4'-P-C4' energy: -106.433 flat angles P-C4'-P energy: -76.222 tors. eta vs tors. theta energy: -123.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1370.801555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.801555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.801555 (E_RNA) where: Base-Base interactions energy: -918.842 where: short stacking energy: -375.861 Base-Backbone interact. energy: -2.970 local terms energy: -448.990087 where: bonds (distance) C4'-P energy: -98.045 bonds (distance) P-C4' energy: -94.796 flat angles C4'-P-C4' energy: -86.324 flat angles P-C4'-P energy: -70.535 tors. eta vs tors. theta energy: -99.289 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: 5 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1252.950768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.950768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.950768 (E_RNA) where: Base-Base interactions energy: -826.502 where: short stacking energy: -381.464 Base-Backbone interact. energy: -1.871 local terms energy: -424.577337 where: bonds (distance) C4'-P energy: -90.936 bonds (distance) P-C4' energy: -80.584 flat angles C4'-P-C4' energy: -92.401 flat angles P-C4'-P energy: -58.593 tors. eta vs tors. theta energy: -102.064 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: 7 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1062.272181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.272181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.272181 (E_RNA) where: Base-Base interactions energy: -692.909 where: short stacking energy: -292.601 Base-Backbone interact. energy: 0.846 local terms energy: -370.209101 where: bonds (distance) C4'-P energy: -78.289 bonds (distance) P-C4' energy: -88.241 flat angles C4'-P-C4' energy: -100.236 flat angles P-C4'-P energy: -55.891 tors. eta vs tors. theta energy: -47.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -835.272000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.272000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.272000 (E_RNA) where: Base-Base interactions energy: -504.623 where: short stacking energy: -265.253 Base-Backbone interact. energy: -1.254 local terms energy: -329.395151 where: bonds (distance) C4'-P energy: -88.231 bonds (distance) P-C4' energy: -64.930 flat angles C4'-P-C4' energy: -73.186 flat angles P-C4'-P energy: -48.701 tors. eta vs tors. theta energy: -54.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -802.160049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.160049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.160049 (E_RNA) where: Base-Base interactions energy: -489.406 where: short stacking energy: -232.346 Base-Backbone interact. energy: 7.391 local terms energy: -320.144746 where: bonds (distance) C4'-P energy: -85.424 bonds (distance) P-C4' energy: -62.372 flat angles C4'-P-C4' energy: -89.096 flat angles P-C4'-P energy: -41.966 tors. eta vs tors. theta energy: -41.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -407.982874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.982874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.982874 (E_RNA) where: Base-Base interactions energy: -149.781 where: short stacking energy: -122.754 Base-Backbone interact. energy: 0.745 local terms energy: -258.946204 where: bonds (distance) C4'-P energy: -80.482 bonds (distance) P-C4' energy: -83.427 flat angles C4'-P-C4' energy: -56.989 flat angles P-C4'-P energy: -44.201 tors. eta vs tors. theta energy: 6.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1719.281023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.281023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.281023 (E_RNA) where: Base-Base interactions energy: -1190.343 where: short stacking energy: -544.088 Base-Backbone interact. energy: 0.138 local terms energy: -529.076110 where: bonds (distance) C4'-P energy: -94.834 bonds (distance) P-C4' energy: -97.661 flat angles C4'-P-C4' energy: -106.264 flat angles P-C4'-P energy: -73.678 tors. eta vs tors. theta energy: -156.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1639.109166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.109166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.109166 (E_RNA) where: Base-Base interactions energy: -1117.589 where: short stacking energy: -485.871 Base-Backbone interact. energy: -2.037 local terms energy: -519.483268 where: bonds (distance) C4'-P energy: -86.682 bonds (distance) P-C4' energy: -101.743 flat angles C4'-P-C4' energy: -116.480 flat angles P-C4'-P energy: -66.712 tors. eta vs tors. theta energy: -147.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1632.899561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.899561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.899561 (E_RNA) where: Base-Base interactions energy: -1104.322 where: short stacking energy: -474.250 Base-Backbone interact. energy: -1.386 local terms energy: -527.191622 where: bonds (distance) C4'-P energy: -90.178 bonds (distance) P-C4' energy: -108.732 flat angles C4'-P-C4' energy: -112.318 flat angles P-C4'-P energy: -72.020 tors. eta vs tors. theta energy: -143.944 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: 249 Temperature: 1.050000 Total energy: -1560.084222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.084222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.084222 (E_RNA) where: Base-Base interactions energy: -1064.310 where: short stacking energy: -453.168 Base-Backbone interact. energy: 4.805 local terms energy: -500.579704 where: bonds (distance) C4'-P energy: -86.717 bonds (distance) P-C4' energy: -108.218 flat angles C4'-P-C4' energy: -98.618 flat angles P-C4'-P energy: -69.907 tors. eta vs tors. theta energy: -137.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1362.422692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.422692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.422692 (E_RNA) where: Base-Base interactions energy: -937.685 where: short stacking energy: -395.543 Base-Backbone interact. energy: -0.663 local terms energy: -424.075407 where: bonds (distance) C4'-P energy: -73.524 bonds (distance) P-C4' energy: -88.516 flat angles C4'-P-C4' energy: -97.141 flat angles P-C4'-P energy: -68.013 tors. eta vs tors. theta energy: -96.881 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: 5 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1295.018615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.018615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.018615 (E_RNA) where: Base-Base interactions energy: -890.006 where: short stacking energy: -380.706 Base-Backbone interact. energy: 6.378 local terms energy: -411.390262 where: bonds (distance) C4'-P energy: -73.682 bonds (distance) P-C4' energy: -85.416 flat angles C4'-P-C4' energy: -89.630 flat angles P-C4'-P energy: -65.266 tors. eta vs tors. theta energy: -97.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1058.110499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.110499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.110499 (E_RNA) where: Base-Base interactions energy: -726.063 where: short stacking energy: -324.609 Base-Backbone interact. energy: 7.709 local terms energy: -339.756222 where: bonds (distance) C4'-P energy: -68.590 bonds (distance) P-C4' energy: -85.830 flat angles C4'-P-C4' energy: -65.389 flat angles P-C4'-P energy: -59.966 tors. eta vs tors. theta energy: -59.981 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: 1 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -837.989481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.989481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.989481 (E_RNA) where: Base-Base interactions energy: -529.845 where: short stacking energy: -236.240 Base-Backbone interact. energy: 2.201 local terms energy: -310.345673 where: bonds (distance) C4'-P energy: -77.829 bonds (distance) P-C4' energy: -73.239 flat angles C4'-P-C4' energy: -81.356 flat angles P-C4'-P energy: -37.018 tors. eta vs tors. theta energy: -40.904 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: 9 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -766.728282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.728282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.728282 (E_RNA) where: Base-Base interactions energy: -460.774 where: short stacking energy: -235.079 Base-Backbone interact. energy: -0.272 local terms energy: -305.682035 where: bonds (distance) C4'-P energy: -64.287 bonds (distance) P-C4' energy: -75.989 flat angles C4'-P-C4' energy: -81.538 flat angles P-C4'-P energy: -54.012 tors. eta vs tors. theta energy: -29.856 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: 3 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -416.601715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.601715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.601715 (E_RNA) where: Base-Base interactions energy: -164.468 where: short stacking energy: -131.903 Base-Backbone interact. energy: 1.786 local terms energy: -253.919838 where: bonds (distance) C4'-P energy: -82.802 bonds (distance) P-C4' energy: -67.125 flat angles C4'-P-C4' energy: -62.933 flat angles P-C4'-P energy: -39.244 tors. eta vs tors. theta energy: -1.815 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: 6 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1731.965137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.965137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.965137 (E_RNA) where: Base-Base interactions energy: -1192.177 where: short stacking energy: -532.628 Base-Backbone interact. energy: -1.146 local terms energy: -538.642490 where: bonds (distance) C4'-P energy: -98.615 bonds (distance) P-C4' energy: -92.729 flat angles C4'-P-C4' energy: -110.121 flat angles P-C4'-P energy: -72.920 tors. eta vs tors. theta energy: -164.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1631.182581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.182581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.182581 (E_RNA) where: Base-Base interactions energy: -1118.880 where: short stacking energy: -466.329 Base-Backbone interact. energy: -0.731 local terms energy: -511.571746 where: bonds (distance) C4'-P energy: -98.182 bonds (distance) P-C4' energy: -93.890 flat angles C4'-P-C4' energy: -108.770 flat angles P-C4'-P energy: -59.058 tors. eta vs tors. theta energy: -151.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1617.653080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.653080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.653080 (E_RNA) where: Base-Base interactions energy: -1113.402 where: short stacking energy: -473.720 Base-Backbone interact. energy: -2.091 local terms energy: -502.161006 where: bonds (distance) C4'-P energy: -86.609 bonds (distance) P-C4' energy: -90.067 flat angles C4'-P-C4' energy: -109.828 flat angles P-C4'-P energy: -69.703 tors. eta vs tors. theta energy: -145.954 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: 250 Temperature: 1.050000 Total energy: -1544.219824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.219824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.219824 (E_RNA) where: Base-Base interactions energy: -1073.748 where: short stacking energy: -452.707 Base-Backbone interact. energy: -1.645 local terms energy: -468.827256 where: bonds (distance) C4'-P energy: -87.547 bonds (distance) P-C4' energy: -83.666 flat angles C4'-P-C4' energy: -104.324 flat angles P-C4'-P energy: -57.819 tors. eta vs tors. theta energy: -135.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -1377.334849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.334849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.334849 (E_RNA) where: Base-Base interactions energy: -929.336 where: short stacking energy: -405.682 Base-Backbone interact. energy: -2.256 local terms energy: -445.742734 where: bonds (distance) C4'-P energy: -84.516 bonds (distance) P-C4' energy: -91.777 flat angles C4'-P-C4' energy: -111.292 flat angles P-C4'-P energy: -48.765 tors. eta vs tors. theta energy: -109.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1279.196153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.196153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.196153 (E_RNA) where: Base-Base interactions energy: -891.621 where: short stacking energy: -355.339 Base-Backbone interact. energy: -0.943 local terms energy: -386.632430 where: bonds (distance) C4'-P energy: -70.977 bonds (distance) P-C4' energy: -83.211 flat angles C4'-P-C4' energy: -88.078 flat angles P-C4'-P energy: -63.459 tors. eta vs tors. theta energy: -80.908 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: 7 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1059.147989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.147989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.147989 (E_RNA) where: Base-Base interactions energy: -701.319 where: short stacking energy: -288.324 Base-Backbone interact. energy: -1.871 local terms energy: -355.957479 where: bonds (distance) C4'-P energy: -71.680 bonds (distance) P-C4' energy: -81.237 flat angles C4'-P-C4' energy: -90.291 flat angles P-C4'-P energy: -55.843 tors. eta vs tors. theta energy: -56.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -774.676431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.676431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.676431 (E_RNA) where: Base-Base interactions energy: -448.701 where: short stacking energy: -237.802 Base-Backbone interact. energy: 2.721 local terms energy: -328.696478 where: bonds (distance) C4'-P energy: -84.583 bonds (distance) P-C4' energy: -70.657 flat angles C4'-P-C4' energy: -91.644 flat angles P-C4'-P energy: -47.518 tors. eta vs tors. theta energy: -34.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -760.763224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.763224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.763224 (E_RNA) where: Base-Base interactions energy: -448.572 where: short stacking energy: -215.476 Base-Backbone interact. energy: 0.051 local terms energy: -312.242398 where: bonds (distance) C4'-P energy: -78.796 bonds (distance) P-C4' energy: -76.520 flat angles C4'-P-C4' energy: -70.002 flat angles P-C4'-P energy: -60.134 tors. eta vs tors. theta energy: -26.791 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: 3 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -450.583514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.583514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.583514 (E_RNA) where: Base-Base interactions energy: -177.411 where: short stacking energy: -92.000 Base-Backbone interact. energy: 0.142 local terms energy: -273.314636 where: bonds (distance) C4'-P energy: -87.191 bonds (distance) P-C4' energy: -83.106 flat angles C4'-P-C4' energy: -68.876 flat angles P-C4'-P energy: -60.004 tors. eta vs tors. theta energy: 25.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1708.303954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.303954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.303954 (E_RNA) where: Base-Base interactions energy: -1172.924 where: short stacking energy: -515.637 Base-Backbone interact. energy: -1.012 local terms energy: -534.368508 where: bonds (distance) C4'-P energy: -103.268 bonds (distance) P-C4' energy: -94.620 flat angles C4'-P-C4' energy: -99.531 flat angles P-C4'-P energy: -77.386 tors. eta vs tors. theta energy: -159.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1671.529726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.529726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.529726 (E_RNA) where: Base-Base interactions energy: -1160.283 where: short stacking energy: -489.291 Base-Backbone interact. energy: -3.785 local terms energy: -507.462264 where: bonds (distance) C4'-P energy: -86.265 bonds (distance) P-C4' energy: -96.035 flat angles C4'-P-C4' energy: -111.505 flat angles P-C4'-P energy: -70.315 tors. eta vs tors. theta energy: -143.341 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: 8 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1616.703748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.703748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.703748 (E_RNA) where: Base-Base interactions energy: -1119.862 where: short stacking energy: -476.405 Base-Backbone interact. energy: -1.356 local terms energy: -495.485433 where: bonds (distance) C4'-P energy: -93.675 bonds (distance) P-C4' energy: -84.002 flat angles C4'-P-C4' energy: -107.004 flat angles P-C4'-P energy: -74.012 tors. eta vs tors. theta energy: -136.792 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: 4, replica: 10 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1582.400070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.400070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.400070 (E_RNA) where: Base-Base interactions energy: -1104.363 where: short stacking energy: -464.722 Base-Backbone interact. energy: -1.558 local terms energy: -476.479050 where: bonds (distance) C4'-P energy: -89.846 bonds (distance) P-C4' energy: -82.214 flat angles C4'-P-C4' energy: -96.598 flat angles P-C4'-P energy: -66.661 tors. eta vs tors. theta energy: -141.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1372.271544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.271544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.271544 (E_RNA) where: Base-Base interactions energy: -936.463 where: short stacking energy: -391.530 Base-Backbone interact. energy: 4.703 local terms energy: -440.511116 where: bonds (distance) C4'-P energy: -84.878 bonds (distance) P-C4' energy: -88.833 flat angles C4'-P-C4' energy: -95.461 flat angles P-C4'-P energy: -70.268 tors. eta vs tors. theta energy: -101.070 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: 4 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1287.078224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.078224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.078224 (E_RNA) where: Base-Base interactions energy: -877.364 where: short stacking energy: -360.647 Base-Backbone interact. energy: -1.211 local terms energy: -408.502754 where: bonds (distance) C4'-P energy: -83.266 bonds (distance) P-C4' energy: -86.417 flat angles C4'-P-C4' energy: -83.101 flat angles P-C4'-P energy: -66.890 tors. eta vs tors. theta energy: -88.829 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: 7 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1099.593386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.593386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.593386 (E_RNA) where: Base-Base interactions energy: -748.255 where: short stacking energy: -295.773 Base-Backbone interact. energy: -1.009 local terms energy: -350.329443 where: bonds (distance) C4'-P energy: -71.855 bonds (distance) P-C4' energy: -90.653 flat angles C4'-P-C4' energy: -66.206 flat angles P-C4'-P energy: -48.136 tors. eta vs tors. theta energy: -73.480 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: 1 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -803.471032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.471032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.471032 (E_RNA) where: Base-Base interactions energy: -474.573 where: short stacking energy: -259.977 Base-Backbone interact. energy: -1.559 local terms energy: -327.338335 where: bonds (distance) C4'-P energy: -65.705 bonds (distance) P-C4' energy: -86.338 flat angles C4'-P-C4' energy: -76.972 flat angles P-C4'-P energy: -42.990 tors. eta vs tors. theta energy: -55.333 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: 9 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -812.069597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.069597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.069597 (E_RNA) where: Base-Base interactions energy: -483.370 where: short stacking energy: -240.757 Base-Backbone interact. energy: -0.214 local terms energy: -328.485337 where: bonds (distance) C4'-P energy: -76.537 bonds (distance) P-C4' energy: -93.511 flat angles C4'-P-C4' energy: -89.516 flat angles P-C4'-P energy: -42.138 tors. eta vs tors. theta energy: -26.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -451.109847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.109847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.109847 (E_RNA) where: Base-Base interactions energy: -200.433 where: short stacking energy: -117.544 Base-Backbone interact. energy: 2.296 local terms energy: -252.973551 where: bonds (distance) C4'-P energy: -80.045 bonds (distance) P-C4' energy: -87.254 flat angles C4'-P-C4' energy: -73.482 flat angles P-C4'-P energy: -23.536 tors. eta vs tors. theta energy: 11.343 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: 1, replica: 6 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1694.751502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.751502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.751502 (E_RNA) where: Base-Base interactions energy: -1155.470 where: short stacking energy: -538.505 Base-Backbone interact. energy: 0.239 local terms energy: -539.521017 where: bonds (distance) C4'-P energy: -89.576 bonds (distance) P-C4' energy: -96.096 flat angles C4'-P-C4' energy: -112.933 flat angles P-C4'-P energy: -75.159 tors. eta vs tors. theta energy: -165.758 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: 2 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1666.050479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.050479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.050479 (E_RNA) where: Base-Base interactions energy: -1168.042 where: short stacking energy: -498.041 Base-Backbone interact. energy: 2.000 local terms energy: -500.008375 where: bonds (distance) C4'-P energy: -88.367 bonds (distance) P-C4' energy: -89.459 flat angles C4'-P-C4' energy: -99.768 flat angles P-C4'-P energy: -72.903 tors. eta vs tors. theta energy: -149.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1618.482438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.482438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.482438 (E_RNA) where: Base-Base interactions energy: -1115.729 where: short stacking energy: -484.541 Base-Backbone interact. energy: -0.818 local terms energy: -501.935150 where: bonds (distance) C4'-P energy: -105.365 bonds (distance) P-C4' energy: -86.172 flat angles C4'-P-C4' energy: -102.139 flat angles P-C4'-P energy: -69.169 tors. eta vs tors. theta energy: -139.090 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: 252 Temperature: 1.050000 Total energy: -1569.339312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.339312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.339312 (E_RNA) where: Base-Base interactions energy: -1080.366 where: short stacking energy: -433.218 Base-Backbone interact. energy: -1.450 local terms energy: -487.523329 where: bonds (distance) C4'-P energy: -93.597 bonds (distance) P-C4' energy: -86.557 flat angles C4'-P-C4' energy: -107.223 flat angles P-C4'-P energy: -71.626 tors. eta vs tors. theta energy: -128.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1386.881885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.881885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.881885 (E_RNA) where: Base-Base interactions energy: -935.517 where: short stacking energy: -409.170 Base-Backbone interact. energy: 4.007 local terms energy: -455.371652 where: bonds (distance) C4'-P energy: -88.701 bonds (distance) P-C4' energy: -90.100 flat angles C4'-P-C4' energy: -101.868 flat angles P-C4'-P energy: -72.436 tors. eta vs tors. theta energy: -102.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1291.235492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.235492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.235492 (E_RNA) where: Base-Base interactions energy: -908.892 where: short stacking energy: -360.574 Base-Backbone interact. energy: -2.122 local terms energy: -380.220669 where: bonds (distance) C4'-P energy: -74.591 bonds (distance) P-C4' energy: -80.619 flat angles C4'-P-C4' energy: -89.179 flat angles P-C4'-P energy: -49.049 tors. eta vs tors. theta energy: -86.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1126.296975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.296975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.296975 (E_RNA) where: Base-Base interactions energy: -731.704 where: short stacking energy: -315.560 Base-Backbone interact. energy: -0.942 local terms energy: -393.651523 where: bonds (distance) C4'-P energy: -74.952 bonds (distance) P-C4' energy: -96.561 flat angles C4'-P-C4' energy: -92.917 flat angles P-C4'-P energy: -61.200 tors. eta vs tors. theta energy: -68.022 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: 1 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -811.292168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.292168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.292168 (E_RNA) where: Base-Base interactions energy: -487.116 where: short stacking energy: -250.639 Base-Backbone interact. energy: -1.161 local terms energy: -323.015655 where: bonds (distance) C4'-P energy: -65.579 bonds (distance) P-C4' energy: -86.189 flat angles C4'-P-C4' energy: -78.452 flat angles P-C4'-P energy: -47.866 tors. eta vs tors. theta energy: -44.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -763.291922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.291922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.291922 (E_RNA) where: Base-Base interactions energy: -454.944 where: short stacking energy: -221.845 Base-Backbone interact. energy: -2.400 local terms energy: -305.948014 where: bonds (distance) C4'-P energy: -62.048 bonds (distance) P-C4' energy: -74.454 flat angles C4'-P-C4' energy: -81.261 flat angles P-C4'-P energy: -62.148 tors. eta vs tors. theta energy: -26.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -464.764646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.764646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.764646 (E_RNA) where: Base-Base interactions energy: -216.617 where: short stacking energy: -127.571 Base-Backbone interact. energy: -0.583 local terms energy: -247.563899 where: bonds (distance) C4'-P energy: -77.551 bonds (distance) P-C4' energy: -71.693 flat angles C4'-P-C4' energy: -71.296 flat angles P-C4'-P energy: -35.018 tors. eta vs tors. theta energy: 7.993 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: 1, replica: 6 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1723.529318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.529318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.529318 (E_RNA) where: Base-Base interactions energy: -1168.919 where: short stacking energy: -540.131 Base-Backbone interact. energy: -1.310 local terms energy: -553.300129 where: bonds (distance) C4'-P energy: -86.388 bonds (distance) P-C4' energy: -92.514 flat angles C4'-P-C4' energy: -116.457 flat angles P-C4'-P energy: -89.419 tors. eta vs tors. theta energy: -168.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1673.552551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.552551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.552551 (E_RNA) where: Base-Base interactions energy: -1152.490 where: short stacking energy: -502.249 Base-Backbone interact. energy: -1.326 local terms energy: -519.737056 where: bonds (distance) C4'-P energy: -102.889 bonds (distance) P-C4' energy: -88.515 flat angles C4'-P-C4' energy: -107.784 flat angles P-C4'-P energy: -73.982 tors. eta vs tors. theta energy: -146.567 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: 253 Temperature: 1.000000 Total energy: -1650.896277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.896277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.896277 (E_RNA) where: Base-Base interactions energy: -1146.163 where: short stacking energy: -500.736 Base-Backbone interact. energy: 0.152 local terms energy: -504.885216 where: bonds (distance) C4'-P energy: -88.571 bonds (distance) P-C4' energy: -87.916 flat angles C4'-P-C4' energy: -107.165 flat angles P-C4'-P energy: -78.275 tors. eta vs tors. theta energy: -142.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1540.352348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.352348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.352348 (E_RNA) where: Base-Base interactions energy: -1053.725 where: short stacking energy: -442.069 Base-Backbone interact. energy: 0.543 local terms energy: -487.170784 where: bonds (distance) C4'-P energy: -92.279 bonds (distance) P-C4' energy: -96.062 flat angles C4'-P-C4' energy: -106.778 flat angles P-C4'-P energy: -69.611 tors. eta vs tors. theta energy: -122.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1388.650518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.650518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.650518 (E_RNA) where: Base-Base interactions energy: -959.931 where: short stacking energy: -405.870 Base-Backbone interact. energy: -1.235 local terms energy: -427.484469 where: bonds (distance) C4'-P energy: -83.132 bonds (distance) P-C4' energy: -83.094 flat angles C4'-P-C4' energy: -92.595 flat angles P-C4'-P energy: -57.161 tors. eta vs tors. theta energy: -111.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1291.944580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.944580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.944580 (E_RNA) where: Base-Base interactions energy: -877.334 where: short stacking energy: -351.959 Base-Backbone interact. energy: -3.882 local terms energy: -410.729311 where: bonds (distance) C4'-P energy: -87.839 bonds (distance) P-C4' energy: -77.948 flat angles C4'-P-C4' energy: -98.731 flat angles P-C4'-P energy: -67.271 tors. eta vs tors. theta energy: -78.940 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: 7 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1119.186223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.186223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.186223 (E_RNA) where: Base-Base interactions energy: -748.065 where: short stacking energy: -336.233 Base-Backbone interact. energy: -0.748 local terms energy: -370.374044 where: bonds (distance) C4'-P energy: -93.221 bonds (distance) P-C4' energy: -78.418 flat angles C4'-P-C4' energy: -75.412 flat angles P-C4'-P energy: -46.583 tors. eta vs tors. theta energy: -76.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -816.634011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.634011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.634011 (E_RNA) where: Base-Base interactions energy: -491.726 where: short stacking energy: -237.420 Base-Backbone interact. energy: -3.015 local terms energy: -321.893051 where: bonds (distance) C4'-P energy: -77.523 bonds (distance) P-C4' energy: -82.238 flat angles C4'-P-C4' energy: -82.186 flat angles P-C4'-P energy: -37.797 tors. eta vs tors. theta energy: -42.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -734.239462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.239462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.239462 (E_RNA) where: Base-Base interactions energy: -431.126 where: short stacking energy: -190.074 Base-Backbone interact. energy: -0.773 local terms energy: -302.340448 where: bonds (distance) C4'-P energy: -80.270 bonds (distance) P-C4' energy: -84.862 flat angles C4'-P-C4' energy: -75.283 flat angles P-C4'-P energy: -53.566 tors. eta vs tors. theta energy: -8.360 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: 3 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -494.892352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.892352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.892352 (E_RNA) where: Base-Base interactions energy: -235.827 where: short stacking energy: -160.824 Base-Backbone interact. energy: -1.425 local terms energy: -257.640374 where: bonds (distance) C4'-P energy: -83.220 bonds (distance) P-C4' energy: -65.435 flat angles C4'-P-C4' energy: -78.741 flat angles P-C4'-P energy: -36.520 tors. eta vs tors. theta energy: 6.276 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: 6 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1714.631434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.631434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.631434 (E_RNA) where: Base-Base interactions energy: -1165.082 where: short stacking energy: -534.279 Base-Backbone interact. energy: 0.149 local terms energy: -549.698988 where: bonds (distance) C4'-P energy: -97.039 bonds (distance) P-C4' energy: -99.916 flat angles C4'-P-C4' energy: -112.987 flat angles P-C4'-P energy: -76.516 tors. eta vs tors. theta energy: -163.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1660.458941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.458941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.458941 (E_RNA) where: Base-Base interactions energy: -1144.400 where: short stacking energy: -502.643 Base-Backbone interact. energy: 0.310 local terms energy: -516.369419 where: bonds (distance) C4'-P energy: -84.133 bonds (distance) P-C4' energy: -80.247 flat angles C4'-P-C4' energy: -109.253 flat angles P-C4'-P energy: -82.712 tors. eta vs tors. theta energy: -160.025 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: 3, replica: 8 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1615.894942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.894942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.894942 (E_RNA) where: Base-Base interactions energy: -1102.863 where: short stacking energy: -500.608 Base-Backbone interact. energy: -2.322 local terms energy: -510.709797 where: bonds (distance) C4'-P energy: -97.628 bonds (distance) P-C4' energy: -89.157 flat angles C4'-P-C4' energy: -112.060 flat angles P-C4'-P energy: -71.202 tors. eta vs tors. theta energy: -140.664 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: 10 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1529.216920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.216920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.216920 (E_RNA) where: Base-Base interactions energy: -1066.671 where: short stacking energy: -449.648 Base-Backbone interact. energy: 0.367 local terms energy: -462.912698 where: bonds (distance) C4'-P energy: -83.811 bonds (distance) P-C4' energy: -81.416 flat angles C4'-P-C4' energy: -103.324 flat angles P-C4'-P energy: -65.640 tors. eta vs tors. theta energy: -128.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1370.154744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.154744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.154744 (E_RNA) where: Base-Base interactions energy: -923.197 where: short stacking energy: -394.320 Base-Backbone interact. energy: -2.362 local terms energy: -444.596518 where: bonds (distance) C4'-P energy: -83.111 bonds (distance) P-C4' energy: -89.679 flat angles C4'-P-C4' energy: -93.875 flat angles P-C4'-P energy: -69.812 tors. eta vs tors. theta energy: -108.120 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: 4 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1321.988594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.988594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.988594 (E_RNA) where: Base-Base interactions energy: -913.063 where: short stacking energy: -356.080 Base-Backbone interact. energy: 1.728 local terms energy: -410.653600 where: bonds (distance) C4'-P energy: -87.403 bonds (distance) P-C4' energy: -75.650 flat angles C4'-P-C4' energy: -94.068 flat angles P-C4'-P energy: -64.542 tors. eta vs tors. theta energy: -88.990 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: 7, replica: 7 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1091.396883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.396883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.396883 (E_RNA) where: Base-Base interactions energy: -707.543 where: short stacking energy: -309.138 Base-Backbone interact. energy: -1.913 local terms energy: -381.941021 where: bonds (distance) C4'-P energy: -83.884 bonds (distance) P-C4' energy: -85.281 flat angles C4'-P-C4' energy: -84.013 flat angles P-C4'-P energy: -50.907 tors. eta vs tors. theta energy: -77.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -817.170281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.170281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.170281 (E_RNA) where: Base-Base interactions energy: -507.563 where: short stacking energy: -234.238 Base-Backbone interact. energy: 3.071 local terms energy: -312.677962 where: bonds (distance) C4'-P energy: -75.772 bonds (distance) P-C4' energy: -68.662 flat angles C4'-P-C4' energy: -82.894 flat angles P-C4'-P energy: -49.347 tors. eta vs tors. theta energy: -36.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -745.724842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.724842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.724842 (E_RNA) where: Base-Base interactions energy: -422.604 where: short stacking energy: -210.359 Base-Backbone interact. energy: 0.775 local terms energy: -323.895932 where: bonds (distance) C4'-P energy: -84.919 bonds (distance) P-C4' energy: -76.703 flat angles C4'-P-C4' energy: -74.721 flat angles P-C4'-P energy: -56.252 tors. eta vs tors. theta energy: -31.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -558.238430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.238430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.238430 (E_RNA) where: Base-Base interactions energy: -288.830 where: short stacking energy: -149.975 Base-Backbone interact. energy: -2.047 local terms energy: -267.361320 where: bonds (distance) C4'-P energy: -66.844 bonds (distance) P-C4' energy: -87.746 flat angles C4'-P-C4' energy: -58.967 flat angles P-C4'-P energy: -41.728 tors. eta vs tors. theta energy: -12.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1705.592790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.592790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.592790 (E_RNA) where: Base-Base interactions energy: -1171.951 where: short stacking energy: -520.283 Base-Backbone interact. energy: -1.795 local terms energy: -531.846785 where: bonds (distance) C4'-P energy: -95.031 bonds (distance) P-C4' energy: -99.570 flat angles C4'-P-C4' energy: -114.536 flat angles P-C4'-P energy: -60.602 tors. eta vs tors. theta energy: -162.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1643.686352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.686352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.686352 (E_RNA) where: Base-Base interactions energy: -1146.563 where: short stacking energy: -519.808 Base-Backbone interact. energy: -2.391 local terms energy: -494.732297 where: bonds (distance) C4'-P energy: -83.146 bonds (distance) P-C4' energy: -84.824 flat angles C4'-P-C4' energy: -104.332 flat angles P-C4'-P energy: -71.311 tors. eta vs tors. theta energy: -151.119 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: 3, replica: 8 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1606.917850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.917850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.917850 (E_RNA) where: Base-Base interactions energy: -1130.816 where: short stacking energy: -487.480 Base-Backbone interact. energy: 1.236 local terms energy: -477.338056 where: bonds (distance) C4'-P energy: -80.242 bonds (distance) P-C4' energy: -85.834 flat angles C4'-P-C4' energy: -100.000 flat angles P-C4'-P energy: -73.423 tors. eta vs tors. theta energy: -137.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1541.616622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.616622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.616622 (E_RNA) where: Base-Base interactions energy: -1091.086 where: short stacking energy: -446.923 Base-Backbone interact. energy: -1.572 local terms energy: -448.957654 where: bonds (distance) C4'-P energy: -86.051 bonds (distance) P-C4' energy: -78.769 flat angles C4'-P-C4' energy: -95.318 flat angles P-C4'-P energy: -63.855 tors. eta vs tors. theta energy: -124.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1287.511218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.511218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.511218 (E_RNA) where: Base-Base interactions energy: -866.585 where: short stacking energy: -367.813 Base-Backbone interact. energy: -1.519 local terms energy: -419.406523 where: bonds (distance) C4'-P energy: -81.732 bonds (distance) P-C4' energy: -85.780 flat angles C4'-P-C4' energy: -102.299 flat angles P-C4'-P energy: -52.558 tors. eta vs tors. theta energy: -97.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1370.677375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.677375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.677375 (E_RNA) where: Base-Base interactions energy: -955.373 where: short stacking energy: -381.247 Base-Backbone interact. energy: -5.100 local terms energy: -410.204547 where: bonds (distance) C4'-P energy: -67.334 bonds (distance) P-C4' energy: -89.145 flat angles C4'-P-C4' energy: -99.129 flat angles P-C4'-P energy: -61.530 tors. eta vs tors. theta energy: -93.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1108.893311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.893311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.893311 (E_RNA) where: Base-Base interactions energy: -717.484 where: short stacking energy: -316.021 Base-Backbone interact. energy: -2.064 local terms energy: -389.345401 where: bonds (distance) C4'-P energy: -85.679 bonds (distance) P-C4' energy: -87.980 flat angles C4'-P-C4' energy: -84.740 flat angles P-C4'-P energy: -53.521 tors. eta vs tors. theta energy: -77.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -779.224824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.224824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.224824 (E_RNA) where: Base-Base interactions energy: -464.661 where: short stacking energy: -229.673 Base-Backbone interact. energy: -2.263 local terms energy: -312.301213 where: bonds (distance) C4'-P energy: -79.894 bonds (distance) P-C4' energy: -72.801 flat angles C4'-P-C4' energy: -84.841 flat angles P-C4'-P energy: -39.546 tors. eta vs tors. theta energy: -35.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -809.529104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.529104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.529104 (E_RNA) where: Base-Base interactions energy: -501.615 where: short stacking energy: -215.955 Base-Backbone interact. energy: -0.993 local terms energy: -306.920569 where: bonds (distance) C4'-P energy: -80.428 bonds (distance) P-C4' energy: -66.134 flat angles C4'-P-C4' energy: -74.840 flat angles P-C4'-P energy: -56.988 tors. eta vs tors. theta energy: -28.532 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: 3 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -578.164343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.164343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.164343 (E_RNA) where: Base-Base interactions energy: -287.200 where: short stacking energy: -156.944 Base-Backbone interact. energy: 0.062 local terms energy: -291.026556 where: bonds (distance) C4'-P energy: -73.786 bonds (distance) P-C4' energy: -86.586 flat angles C4'-P-C4' energy: -67.815 flat angles P-C4'-P energy: -44.955 tors. eta vs tors. theta energy: -17.884 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: 2 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1709.848455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.848455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.848455 (E_RNA) where: Base-Base interactions energy: -1177.108 where: short stacking energy: -507.968 Base-Backbone interact. energy: -2.138 local terms energy: -530.602232 where: bonds (distance) C4'-P energy: -85.604 bonds (distance) P-C4' energy: -102.481 flat angles C4'-P-C4' energy: -106.822 flat angles P-C4'-P energy: -75.355 tors. eta vs tors. theta energy: -160.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1653.239182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.239182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.239182 (E_RNA) where: Base-Base interactions energy: -1134.454 where: short stacking energy: -502.495 Base-Backbone interact. energy: -0.977 local terms energy: -517.807448 where: bonds (distance) C4'-P energy: -94.564 bonds (distance) P-C4' energy: -88.306 flat angles C4'-P-C4' energy: -105.012 flat angles P-C4'-P energy: -75.378 tors. eta vs tors. theta energy: -154.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1605.639580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.639580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.639580 (E_RNA) where: Base-Base interactions energy: -1096.701 where: short stacking energy: -489.996 Base-Backbone interact. energy: -0.034 local terms energy: -508.903813 where: bonds (distance) C4'-P energy: -104.038 bonds (distance) P-C4' energy: -85.517 flat angles C4'-P-C4' energy: -107.891 flat angles P-C4'-P energy: -64.760 tors. eta vs tors. theta energy: -146.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1551.366006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.366006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.366006 (E_RNA) where: Base-Base interactions energy: -1060.415 where: short stacking energy: -446.623 Base-Backbone interact. energy: -0.617 local terms energy: -490.334369 where: bonds (distance) C4'-P energy: -89.714 bonds (distance) P-C4' energy: -104.378 flat angles C4'-P-C4' energy: -102.408 flat angles P-C4'-P energy: -62.627 tors. eta vs tors. theta energy: -131.207 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: 5, replica: 4 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1350.715669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.715669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.715669 (E_RNA) where: Base-Base interactions energy: -932.337 where: short stacking energy: -401.492 Base-Backbone interact. energy: -0.795 local terms energy: -417.584207 where: bonds (distance) C4'-P energy: -80.274 bonds (distance) P-C4' energy: -78.593 flat angles C4'-P-C4' energy: -93.882 flat angles P-C4'-P energy: -67.569 tors. eta vs tors. theta energy: -97.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1304.213120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.213120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.213120 (E_RNA) where: Base-Base interactions energy: -872.532 where: short stacking energy: -380.079 Base-Backbone interact. energy: -2.921 local terms energy: -428.760390 where: bonds (distance) C4'-P energy: -99.166 bonds (distance) P-C4' energy: -78.678 flat angles C4'-P-C4' energy: -87.813 flat angles P-C4'-P energy: -68.469 tors. eta vs tors. theta energy: -94.634 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: 7 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1097.568986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.568986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.568986 (E_RNA) where: Base-Base interactions energy: -730.898 where: short stacking energy: -321.954 Base-Backbone interact. energy: -3.088 local terms energy: -363.582894 where: bonds (distance) C4'-P energy: -68.249 bonds (distance) P-C4' energy: -89.118 flat angles C4'-P-C4' energy: -89.673 flat angles P-C4'-P energy: -52.328 tors. eta vs tors. theta energy: -64.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -753.232952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.232952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.232952 (E_RNA) where: Base-Base interactions energy: -439.981 where: short stacking energy: -224.528 Base-Backbone interact. energy: 1.406 local terms energy: -314.658021 where: bonds (distance) C4'-P energy: -75.985 bonds (distance) P-C4' energy: -95.093 flat angles C4'-P-C4' energy: -73.733 flat angles P-C4'-P energy: -47.158 tors. eta vs tors. theta energy: -22.689 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: 1 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -774.605570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.605570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.605570 (E_RNA) where: Base-Base interactions energy: -481.067 where: short stacking energy: -207.243 Base-Backbone interact. energy: 2.984 local terms energy: -296.522287 where: bonds (distance) C4'-P energy: -55.222 bonds (distance) P-C4' energy: -86.603 flat angles C4'-P-C4' energy: -79.264 flat angles P-C4'-P energy: -50.367 tors. eta vs tors. theta energy: -25.067 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: 3 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -603.290066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.290066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.290066 (E_RNA) where: Base-Base interactions energy: -320.502 where: short stacking energy: -188.351 Base-Backbone interact. energy: -0.859 local terms energy: -281.929232 where: bonds (distance) C4'-P energy: -68.957 bonds (distance) P-C4' energy: -69.309 flat angles C4'-P-C4' energy: -78.759 flat angles P-C4'-P energy: -43.304 tors. eta vs tors. theta energy: -21.600 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: 2 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1693.884330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.884330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.884330 (E_RNA) where: Base-Base interactions energy: -1176.977 where: short stacking energy: -514.555 Base-Backbone interact. energy: -2.401 local terms energy: -514.506703 where: bonds (distance) C4'-P energy: -82.824 bonds (distance) P-C4' energy: -103.662 flat angles C4'-P-C4' energy: -108.184 flat angles P-C4'-P energy: -64.064 tors. eta vs tors. theta energy: -155.772 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: 6 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1668.266698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.266698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.266698 (E_RNA) where: Base-Base interactions energy: -1140.855 where: short stacking energy: -497.383 Base-Backbone interact. energy: 0.160 local terms energy: -527.572055 where: bonds (distance) C4'-P energy: -93.414 bonds (distance) P-C4' energy: -98.392 flat angles C4'-P-C4' energy: -113.676 flat angles P-C4'-P energy: -70.205 tors. eta vs tors. theta energy: -151.885 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: 3, replica: 8 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1604.139852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.139852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.139852 (E_RNA) where: Base-Base interactions energy: -1101.140 where: short stacking energy: -476.618 Base-Backbone interact. energy: -1.617 local terms energy: -501.383757 where: bonds (distance) C4'-P energy: -95.811 bonds (distance) P-C4' energy: -85.154 flat angles C4'-P-C4' energy: -109.453 flat angles P-C4'-P energy: -67.564 tors. eta vs tors. theta energy: -143.402 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: 4, replica: 10 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1516.701824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.701824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.701824 (E_RNA) where: Base-Base interactions energy: -1052.852 where: short stacking energy: -420.350 Base-Backbone interact. energy: -2.845 local terms energy: -461.004932 where: bonds (distance) C4'-P energy: -88.776 bonds (distance) P-C4' energy: -95.050 flat angles C4'-P-C4' energy: -92.930 flat angles P-C4'-P energy: -62.548 tors. eta vs tors. theta energy: -121.701 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: 5, replica: 4 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -1354.435253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.435253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.435253 (E_RNA) where: Base-Base interactions energy: -926.807 where: short stacking energy: -389.517 Base-Backbone interact. energy: -1.881 local terms energy: -425.746594 where: bonds (distance) C4'-P energy: -89.107 bonds (distance) P-C4' energy: -73.131 flat angles C4'-P-C4' energy: -95.305 flat angles P-C4'-P energy: -57.855 tors. eta vs tors. theta energy: -110.349 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: 6, replica: 5 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1303.393641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.393641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.393641 (E_RNA) where: Base-Base interactions energy: -898.944 where: short stacking energy: -381.925 Base-Backbone interact. energy: -1.880 local terms energy: -402.569489 where: bonds (distance) C4'-P energy: -74.300 bonds (distance) P-C4' energy: -85.303 flat angles C4'-P-C4' energy: -96.254 flat angles P-C4'-P energy: -50.340 tors. eta vs tors. theta energy: -96.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1070.538654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.538654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.538654 (E_RNA) where: Base-Base interactions energy: -692.728 where: short stacking energy: -298.915 Base-Backbone interact. energy: -0.710 local terms energy: -377.100100 where: bonds (distance) C4'-P energy: -78.765 bonds (distance) P-C4' energy: -85.070 flat angles C4'-P-C4' energy: -98.288 flat angles P-C4'-P energy: -58.154 tors. eta vs tors. theta energy: -56.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -821.868840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.868840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.868840 (E_RNA) where: Base-Base interactions energy: -500.676 where: short stacking energy: -245.564 Base-Backbone interact. energy: 1.478 local terms energy: -322.670478 where: bonds (distance) C4'-P energy: -65.451 bonds (distance) P-C4' energy: -99.243 flat angles C4'-P-C4' energy: -67.948 flat angles P-C4'-P energy: -56.864 tors. eta vs tors. theta energy: -33.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -731.140553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.140553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.140553 (E_RNA) where: Base-Base interactions energy: -415.160 where: short stacking energy: -236.184 Base-Backbone interact. energy: 4.326 local terms energy: -320.306987 where: bonds (distance) C4'-P energy: -70.510 bonds (distance) P-C4' energy: -79.221 flat angles C4'-P-C4' energy: -82.176 flat angles P-C4'-P energy: -57.337 tors. eta vs tors. theta energy: -31.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -594.058606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.058606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.058606 (E_RNA) where: Base-Base interactions energy: -338.752 where: short stacking energy: -178.446 Base-Backbone interact. energy: 4.794 local terms energy: -260.101248 where: bonds (distance) C4'-P energy: -82.222 bonds (distance) P-C4' energy: -75.386 flat angles C4'-P-C4' energy: -65.199 flat angles P-C4'-P energy: -36.793 tors. eta vs tors. theta energy: -0.501 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: 6 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1716.322326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.322326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.322326 (E_RNA) where: Base-Base interactions energy: -1181.754 where: short stacking energy: -532.468 Base-Backbone interact. energy: -1.381 local terms energy: -533.187676 where: bonds (distance) C4'-P energy: -93.537 bonds (distance) P-C4' energy: -87.189 flat angles C4'-P-C4' energy: -120.973 flat angles P-C4'-P energy: -76.519 tors. eta vs tors. theta energy: -154.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1662.410523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.410523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.410523 (E_RNA) where: Base-Base interactions energy: -1136.197 where: short stacking energy: -512.654 Base-Backbone interact. energy: -3.196 local terms energy: -523.017840 where: bonds (distance) C4'-P energy: -86.746 bonds (distance) P-C4' energy: -107.794 flat angles C4'-P-C4' energy: -108.854 flat angles P-C4'-P energy: -65.656 tors. eta vs tors. theta energy: -153.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1596.311649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.311649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.311649 (E_RNA) where: Base-Base interactions energy: -1099.849 where: short stacking energy: -502.365 Base-Backbone interact. energy: -2.164 local terms energy: -494.298089 where: bonds (distance) C4'-P energy: -89.293 bonds (distance) P-C4' energy: -87.948 flat angles C4'-P-C4' energy: -101.427 flat angles P-C4'-P energy: -78.513 tors. eta vs tors. theta energy: -137.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1489.487373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.487373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.487373 (E_RNA) where: Base-Base interactions energy: -1025.196 where: short stacking energy: -422.345 Base-Backbone interact. energy: -2.309 local terms energy: -461.982861 where: bonds (distance) C4'-P energy: -75.654 bonds (distance) P-C4' energy: -96.044 flat angles C4'-P-C4' energy: -109.651 flat angles P-C4'-P energy: -60.827 tors. eta vs tors. theta energy: -119.806 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: 5, replica: 5 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1338.151696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.151696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.151696 (E_RNA) where: Base-Base interactions energy: -906.657 where: short stacking energy: -378.622 Base-Backbone interact. energy: -1.652 local terms energy: -429.843493 where: bonds (distance) C4'-P energy: -86.320 bonds (distance) P-C4' energy: -95.780 flat angles C4'-P-C4' energy: -90.088 flat angles P-C4'-P energy: -55.718 tors. eta vs tors. theta energy: -101.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1306.478093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.478093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.478093 (E_RNA) where: Base-Base interactions energy: -884.038 where: short stacking energy: -367.308 Base-Backbone interact. energy: 0.484 local terms energy: -422.923961 where: bonds (distance) C4'-P energy: -87.452 bonds (distance) P-C4' energy: -91.766 flat angles C4'-P-C4' energy: -82.585 flat angles P-C4'-P energy: -57.208 tors. eta vs tors. theta energy: -103.912 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: 7 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1040.307048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.307048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.307048 (E_RNA) where: Base-Base interactions energy: -687.240 where: short stacking energy: -313.686 Base-Backbone interact. energy: -0.215 local terms energy: -352.852262 where: bonds (distance) C4'-P energy: -73.172 bonds (distance) P-C4' energy: -81.084 flat angles C4'-P-C4' energy: -83.584 flat angles P-C4'-P energy: -45.716 tors. eta vs tors. theta energy: -69.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -783.549460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.549460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.549460 (E_RNA) where: Base-Base interactions energy: -464.700 where: short stacking energy: -224.102 Base-Backbone interact. energy: 1.661 local terms energy: -320.510490 where: bonds (distance) C4'-P energy: -89.472 bonds (distance) P-C4' energy: -81.754 flat angles C4'-P-C4' energy: -77.193 flat angles P-C4'-P energy: -37.306 tors. eta vs tors. theta energy: -34.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -707.727651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.727651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.727651 (E_RNA) where: Base-Base interactions energy: -389.967 where: short stacking energy: -188.004 Base-Backbone interact. energy: -1.231 local terms energy: -316.528785 where: bonds (distance) C4'-P energy: -94.817 bonds (distance) P-C4' energy: -88.288 flat angles C4'-P-C4' energy: -71.876 flat angles P-C4'-P energy: -51.580 tors. eta vs tors. theta energy: -9.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -547.629595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.629595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.629595 (E_RNA) where: Base-Base interactions energy: -277.379 where: short stacking energy: -163.170 Base-Backbone interact. energy: -3.232 local terms energy: -267.017810 where: bonds (distance) C4'-P energy: -65.706 bonds (distance) P-C4' energy: -80.001 flat angles C4'-P-C4' energy: -80.417 flat angles P-C4'-P energy: -29.381 tors. eta vs tors. theta energy: -11.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1704.141637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.141637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.141637 (E_RNA) where: Base-Base interactions energy: -1189.256 where: short stacking energy: -526.514 Base-Backbone interact. energy: -1.179 local terms energy: -513.706709 where: bonds (distance) C4'-P energy: -86.773 bonds (distance) P-C4' energy: -89.132 flat angles C4'-P-C4' energy: -109.195 flat angles P-C4'-P energy: -68.947 tors. eta vs tors. theta energy: -159.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1665.358542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.358542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.358542 (E_RNA) where: Base-Base interactions energy: -1138.222 where: short stacking energy: -491.597 Base-Backbone interact. energy: -1.320 local terms energy: -525.816263 where: bonds (distance) C4'-P energy: -100.782 bonds (distance) P-C4' energy: -105.741 flat angles C4'-P-C4' energy: -98.455 flat angles P-C4'-P energy: -66.898 tors. eta vs tors. theta energy: -153.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1598.619947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.619947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.619947 (E_RNA) where: Base-Base interactions energy: -1078.723 where: short stacking energy: -468.341 Base-Backbone interact. energy: -2.310 local terms energy: -517.587154 where: bonds (distance) C4'-P energy: -109.061 bonds (distance) P-C4' energy: -99.267 flat angles C4'-P-C4' energy: -105.036 flat angles P-C4'-P energy: -72.203 tors. eta vs tors. theta energy: -132.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1515.447533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.447533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.447533 (E_RNA) where: Base-Base interactions energy: -1024.230 where: short stacking energy: -423.030 Base-Backbone interact. energy: -3.182 local terms energy: -488.035992 where: bonds (distance) C4'-P energy: -83.216 bonds (distance) P-C4' energy: -92.691 flat angles C4'-P-C4' energy: -106.634 flat angles P-C4'-P energy: -74.836 tors. eta vs tors. theta energy: -130.659 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: 5 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1354.424197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.424197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.424197 (E_RNA) where: Base-Base interactions energy: -909.614 where: short stacking energy: -385.185 Base-Backbone interact. energy: -0.272 local terms energy: -444.538266 where: bonds (distance) C4'-P energy: -98.921 bonds (distance) P-C4' energy: -95.535 flat angles C4'-P-C4' energy: -93.385 flat angles P-C4'-P energy: -63.029 tors. eta vs tors. theta energy: -93.667 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: 6, replica: 4 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1271.823167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.823167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.823167 (E_RNA) where: Base-Base interactions energy: -890.722 where: short stacking energy: -357.541 Base-Backbone interact. energy: -1.685 local terms energy: -379.416522 where: bonds (distance) C4'-P energy: -79.727 bonds (distance) P-C4' energy: -71.842 flat angles C4'-P-C4' energy: -79.496 flat angles P-C4'-P energy: -60.819 tors. eta vs tors. theta energy: -87.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1067.623680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.623680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.623680 (E_RNA) where: Base-Base interactions energy: -696.353 where: short stacking energy: -302.866 Base-Backbone interact. energy: -0.031 local terms energy: -371.240080 where: bonds (distance) C4'-P energy: -73.236 bonds (distance) P-C4' energy: -84.073 flat angles C4'-P-C4' energy: -91.805 flat angles P-C4'-P energy: -53.659 tors. eta vs tors. theta energy: -68.467 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: 1 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -802.307225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.307225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.307225 (E_RNA) where: Base-Base interactions energy: -473.688 where: short stacking energy: -236.443 Base-Backbone interact. energy: 2.799 local terms energy: -331.418989 where: bonds (distance) C4'-P energy: -67.342 bonds (distance) P-C4' energy: -88.339 flat angles C4'-P-C4' energy: -91.456 flat angles P-C4'-P energy: -33.614 tors. eta vs tors. theta energy: -50.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -702.317360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.317360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.317360 (E_RNA) where: Base-Base interactions energy: -405.389 where: short stacking energy: -195.945 Base-Backbone interact. energy: 2.094 local terms energy: -299.022591 where: bonds (distance) C4'-P energy: -76.076 bonds (distance) P-C4' energy: -76.786 flat angles C4'-P-C4' energy: -80.656 flat angles P-C4'-P energy: -48.407 tors. eta vs tors. theta energy: -17.097 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: 3 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -550.011100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.011100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.011100 (E_RNA) where: Base-Base interactions energy: -277.261 where: short stacking energy: -155.241 Base-Backbone interact. energy: 6.916 local terms energy: -279.666675 where: bonds (distance) C4'-P energy: -80.816 bonds (distance) P-C4' energy: -77.028 flat angles C4'-P-C4' energy: -69.085 flat angles P-C4'-P energy: -53.934 tors. eta vs tors. theta energy: 1.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1709.107621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.107621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.107621 (E_RNA) where: Base-Base interactions energy: -1178.699 where: short stacking energy: -532.299 Base-Backbone interact. energy: -2.520 local terms energy: -527.888565 where: bonds (distance) C4'-P energy: -86.540 bonds (distance) P-C4' energy: -92.411 flat angles C4'-P-C4' energy: -114.993 flat angles P-C4'-P energy: -74.826 tors. eta vs tors. theta energy: -159.119 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: 2, replica: 2 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1661.526897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.526897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.526897 (E_RNA) where: Base-Base interactions energy: -1157.825 where: short stacking energy: -495.338 Base-Backbone interact. energy: -1.789 local terms energy: -501.913484 where: bonds (distance) C4'-P energy: -86.745 bonds (distance) P-C4' energy: -89.141 flat angles C4'-P-C4' energy: -107.664 flat angles P-C4'-P energy: -67.691 tors. eta vs tors. theta energy: -150.673 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: 3, replica: 8 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1655.523044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.523044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.523044 (E_RNA) where: Base-Base interactions energy: -1137.931 where: short stacking energy: -500.750 Base-Backbone interact. energy: -1.691 local terms energy: -515.901291 where: bonds (distance) C4'-P energy: -93.705 bonds (distance) P-C4' energy: -88.560 flat angles C4'-P-C4' energy: -113.475 flat angles P-C4'-P energy: -75.147 tors. eta vs tors. theta energy: -145.015 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: 260 Temperature: 1.050000 Total energy: -1527.785936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.785936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.785936 (E_RNA) where: Base-Base interactions energy: -1038.317 where: short stacking energy: -432.182 Base-Backbone interact. energy: -4.255 local terms energy: -485.214601 where: bonds (distance) C4'-P energy: -87.219 bonds (distance) P-C4' energy: -88.521 flat angles C4'-P-C4' energy: -103.108 flat angles P-C4'-P energy: -76.643 tors. eta vs tors. theta energy: -129.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -1341.473027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.473027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.473027 (E_RNA) where: Base-Base interactions energy: -892.984 where: short stacking energy: -363.853 Base-Backbone interact. energy: -1.035 local terms energy: -447.453347 where: bonds (distance) C4'-P energy: -74.578 bonds (distance) P-C4' energy: -91.816 flat angles C4'-P-C4' energy: -107.533 flat angles P-C4'-P energy: -76.009 tors. eta vs tors. theta energy: -97.518 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: 4 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1213.557007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.557007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.557007 (E_RNA) where: Base-Base interactions energy: -803.131 where: short stacking energy: -340.916 Base-Backbone interact. energy: -4.182 local terms energy: -406.244528 where: bonds (distance) C4'-P energy: -80.381 bonds (distance) P-C4' energy: -87.941 flat angles C4'-P-C4' energy: -96.607 flat angles P-C4'-P energy: -64.689 tors. eta vs tors. theta energy: -76.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1072.786915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.786915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.786915 (E_RNA) where: Base-Base interactions energy: -688.787 where: short stacking energy: -274.665 Base-Backbone interact. energy: -1.988 local terms energy: -382.011843 where: bonds (distance) C4'-P energy: -72.957 bonds (distance) P-C4' energy: -95.063 flat angles C4'-P-C4' energy: -86.822 flat angles P-C4'-P energy: -64.614 tors. eta vs tors. theta energy: -62.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -795.399568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.399568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.399568 (E_RNA) where: Base-Base interactions energy: -478.462 where: short stacking energy: -235.698 Base-Backbone interact. energy: -2.242 local terms energy: -314.695942 where: bonds (distance) C4'-P energy: -75.169 bonds (distance) P-C4' energy: -72.848 flat angles C4'-P-C4' energy: -83.035 flat angles P-C4'-P energy: -55.129 tors. eta vs tors. theta energy: -28.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -743.616511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.616511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.616511 (E_RNA) where: Base-Base interactions energy: -419.449 where: short stacking energy: -201.268 Base-Backbone interact. energy: -0.613 local terms energy: -323.554910 where: bonds (distance) C4'-P energy: -77.951 bonds (distance) P-C4' energy: -101.382 flat angles C4'-P-C4' energy: -74.216 flat angles P-C4'-P energy: -53.094 tors. eta vs tors. theta energy: -16.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -527.232842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.232842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.232842 (E_RNA) where: Base-Base interactions energy: -266.285 where: short stacking energy: -143.440 Base-Backbone interact. energy: -0.550 local terms energy: -260.397989 where: bonds (distance) C4'-P energy: -69.050 bonds (distance) P-C4' energy: -83.189 flat angles C4'-P-C4' energy: -74.895 flat angles P-C4'-P energy: -43.108 tors. eta vs tors. theta energy: 9.844 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: 6 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1723.846194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.846194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.846194 (E_RNA) where: Base-Base interactions energy: -1191.258 where: short stacking energy: -547.918 Base-Backbone interact. energy: -1.503 local terms energy: -531.085158 where: bonds (distance) C4'-P energy: -90.731 bonds (distance) P-C4' energy: -98.759 flat angles C4'-P-C4' energy: -112.519 flat angles P-C4'-P energy: -72.703 tors. eta vs tors. theta energy: -156.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1640.290163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.290163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.290163 (E_RNA) where: Base-Base interactions energy: -1139.853 where: short stacking energy: -508.144 Base-Backbone interact. energy: -0.967 local terms energy: -499.469979 where: bonds (distance) C4'-P energy: -82.240 bonds (distance) P-C4' energy: -85.515 flat angles C4'-P-C4' energy: -112.756 flat angles P-C4'-P energy: -63.852 tors. eta vs tors. theta energy: -155.107 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: 8 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1634.040853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.040853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.040853 (E_RNA) where: Base-Base interactions energy: -1139.062 where: short stacking energy: -494.696 Base-Backbone interact. energy: -0.615 local terms energy: -494.363739 where: bonds (distance) C4'-P energy: -76.726 bonds (distance) P-C4' energy: -91.048 flat angles C4'-P-C4' energy: -102.743 flat angles P-C4'-P energy: -73.753 tors. eta vs tors. theta energy: -150.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1534.498939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.498939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.498939 (E_RNA) where: Base-Base interactions energy: -1064.003 where: short stacking energy: -450.223 Base-Backbone interact. energy: -2.229 local terms energy: -468.265983 where: bonds (distance) C4'-P energy: -81.265 bonds (distance) P-C4' energy: -91.100 flat angles C4'-P-C4' energy: -98.459 flat angles P-C4'-P energy: -59.527 tors. eta vs tors. theta energy: -137.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -1332.799437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.799437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.799437 (E_RNA) where: Base-Base interactions energy: -925.326 where: short stacking energy: -365.121 Base-Backbone interact. energy: 3.818 local terms energy: -411.291284 where: bonds (distance) C4'-P energy: -75.387 bonds (distance) P-C4' energy: -99.326 flat angles C4'-P-C4' energy: -81.291 flat angles P-C4'-P energy: -65.695 tors. eta vs tors. theta energy: -89.592 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: 4 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1265.903618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.903618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.903618 (E_RNA) where: Base-Base interactions energy: -854.249 where: short stacking energy: -342.521 Base-Backbone interact. energy: -0.133 local terms energy: -411.521229 where: bonds (distance) C4'-P energy: -95.223 bonds (distance) P-C4' energy: -83.802 flat angles C4'-P-C4' energy: -98.219 flat angles P-C4'-P energy: -52.356 tors. eta vs tors. theta energy: -81.922 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: 261 Temperature: 1.200000 Total energy: -1071.959620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.959620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.959620 (E_RNA) where: Base-Base interactions energy: -723.561 where: short stacking energy: -297.002 Base-Backbone interact. energy: 6.098 local terms energy: -354.496324 where: bonds (distance) C4'-P energy: -75.742 bonds (distance) P-C4' energy: -93.339 flat angles C4'-P-C4' energy: -89.436 flat angles P-C4'-P energy: -34.568 tors. eta vs tors. theta energy: -61.411 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: 9 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -776.143381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.143381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.143381 (E_RNA) where: Base-Base interactions energy: -448.750 where: short stacking energy: -252.521 Base-Backbone interact. energy: -1.898 local terms energy: -325.495597 where: bonds (distance) C4'-P energy: -82.236 bonds (distance) P-C4' energy: -76.271 flat angles C4'-P-C4' energy: -70.792 flat angles P-C4'-P energy: -57.054 tors. eta vs tors. theta energy: -39.143 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: 1 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -808.089141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.089141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.089141 (E_RNA) where: Base-Base interactions energy: -470.042 where: short stacking energy: -225.388 Base-Backbone interact. energy: -2.295 local terms energy: -335.751900 where: bonds (distance) C4'-P energy: -76.546 bonds (distance) P-C4' energy: -83.792 flat angles C4'-P-C4' energy: -86.527 flat angles P-C4'-P energy: -51.777 tors. eta vs tors. theta energy: -37.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -448.791057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.791057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.791057 (E_RNA) where: Base-Base interactions energy: -199.403 where: short stacking energy: -126.944 Base-Backbone interact. energy: -0.363 local terms energy: -249.025111 where: bonds (distance) C4'-P energy: -75.909 bonds (distance) P-C4' energy: -77.696 flat angles C4'-P-C4' energy: -71.795 flat angles P-C4'-P energy: -29.373 tors. eta vs tors. theta energy: 5.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1717.737511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.737511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.737511 (E_RNA) where: Base-Base interactions energy: -1179.252 where: short stacking energy: -532.549 Base-Backbone interact. energy: 0.712 local terms energy: -539.197295 where: bonds (distance) C4'-P energy: -102.436 bonds (distance) P-C4' energy: -92.241 flat angles C4'-P-C4' energy: -107.703 flat angles P-C4'-P energy: -79.158 tors. eta vs tors. theta energy: -157.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1634.143522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.143522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.143522 (E_RNA) where: Base-Base interactions energy: -1117.457 where: short stacking energy: -476.662 Base-Backbone interact. energy: -1.957 local terms energy: -514.729231 where: bonds (distance) C4'-P energy: -99.063 bonds (distance) P-C4' energy: -100.726 flat angles C4'-P-C4' energy: -118.476 flat angles P-C4'-P energy: -56.843 tors. eta vs tors. theta energy: -139.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1609.076306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.076306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.076306 (E_RNA) where: Base-Base interactions energy: -1111.031 where: short stacking energy: -486.481 Base-Backbone interact. energy: -1.960 local terms energy: -496.084841 where: bonds (distance) C4'-P energy: -80.163 bonds (distance) P-C4' energy: -85.791 flat angles C4'-P-C4' energy: -105.135 flat angles P-C4'-P energy: -76.202 tors. eta vs tors. theta energy: -148.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1527.943023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.943023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.943023 (E_RNA) where: Base-Base interactions energy: -1053.538 where: short stacking energy: -436.044 Base-Backbone interact. energy: -0.512 local terms energy: -473.893385 where: bonds (distance) C4'-P energy: -89.823 bonds (distance) P-C4' energy: -93.125 flat angles C4'-P-C4' energy: -94.807 flat angles P-C4'-P energy: -70.315 tors. eta vs tors. theta energy: -125.823 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: 4 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1323.927530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.927530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.927530 (E_RNA) where: Base-Base interactions energy: -896.527 where: short stacking energy: -353.888 Base-Backbone interact. energy: 4.322 local terms energy: -431.723138 where: bonds (distance) C4'-P energy: -88.284 bonds (distance) P-C4' energy: -91.006 flat angles C4'-P-C4' energy: -96.043 flat angles P-C4'-P energy: -70.255 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: 6, replica: 5 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1305.387384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.387384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.387384 (E_RNA) where: Base-Base interactions energy: -906.019 where: short stacking energy: -378.199 Base-Backbone interact. energy: -2.460 local terms energy: -396.908131 where: bonds (distance) C4'-P energy: -74.926 bonds (distance) P-C4' energy: -83.503 flat angles C4'-P-C4' energy: -87.406 flat angles P-C4'-P energy: -53.878 tors. eta vs tors. theta energy: -97.195 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: 7 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1053.632128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.632128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.632128 (E_RNA) where: Base-Base interactions energy: -683.209 where: short stacking energy: -292.615 Base-Backbone interact. energy: -0.543 local terms energy: -369.879898 where: bonds (distance) C4'-P energy: -71.791 bonds (distance) P-C4' energy: -95.032 flat angles C4'-P-C4' energy: -81.974 flat angles P-C4'-P energy: -55.187 tors. eta vs tors. theta energy: -65.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -739.583758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.583758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.583758 (E_RNA) where: Base-Base interactions energy: -438.000 where: short stacking energy: -206.262 Base-Backbone interact. energy: -3.243 local terms energy: -298.341290 where: bonds (distance) C4'-P energy: -71.193 bonds (distance) P-C4' energy: -84.852 flat angles C4'-P-C4' energy: -84.310 flat angles P-C4'-P energy: -33.888 tors. eta vs tors. theta energy: -24.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -829.032238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.032238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.032238 (E_RNA) where: Base-Base interactions energy: -487.468 where: short stacking energy: -227.584 Base-Backbone interact. energy: -0.804 local terms energy: -340.759347 where: bonds (distance) C4'-P energy: -79.493 bonds (distance) P-C4' energy: -89.364 flat angles C4'-P-C4' energy: -69.009 flat angles P-C4'-P energy: -61.086 tors. eta vs tors. theta energy: -41.807 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: 3 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -429.846074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.846074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.846074 (E_RNA) where: Base-Base interactions energy: -186.048 where: short stacking energy: -119.397 Base-Backbone interact. energy: 5.575 local terms energy: -249.372866 where: bonds (distance) C4'-P energy: -69.857 bonds (distance) P-C4' energy: -77.803 flat angles C4'-P-C4' energy: -67.696 flat angles P-C4'-P energy: -37.446 tors. eta vs tors. theta energy: 3.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1708.126060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.126060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.126060 (E_RNA) where: Base-Base interactions energy: -1163.449 where: short stacking energy: -501.776 Base-Backbone interact. energy: -2.749 local terms energy: -541.927952 where: bonds (distance) C4'-P energy: -110.094 bonds (distance) P-C4' energy: -94.421 flat angles C4'-P-C4' energy: -103.916 flat angles P-C4'-P energy: -80.673 tors. eta vs tors. theta energy: -152.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1675.473214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.473214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.473214 (E_RNA) where: Base-Base interactions energy: -1146.119 where: short stacking energy: -505.697 Base-Backbone interact. energy: -0.526 local terms energy: -528.827803 where: bonds (distance) C4'-P energy: -96.129 bonds (distance) P-C4' energy: -97.675 flat angles C4'-P-C4' energy: -114.269 flat angles P-C4'-P energy: -72.241 tors. eta vs tors. theta energy: -148.515 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: 2 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1640.499365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.499365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.499365 (E_RNA) where: Base-Base interactions energy: -1146.088 where: short stacking energy: -508.903 Base-Backbone interact. energy: -0.612 local terms energy: -493.798996 where: bonds (distance) C4'-P energy: -83.790 bonds (distance) P-C4' energy: -93.872 flat angles C4'-P-C4' energy: -103.640 flat angles P-C4'-P energy: -63.267 tors. eta vs tors. theta energy: -149.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1534.100605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.100605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.100605 (E_RNA) where: Base-Base interactions energy: -1051.624 where: short stacking energy: -429.027 Base-Backbone interact. energy: -0.159 local terms energy: -482.317900 where: bonds (distance) C4'-P energy: -93.011 bonds (distance) P-C4' energy: -93.402 flat angles C4'-P-C4' energy: -106.165 flat angles P-C4'-P energy: -61.096 tors. eta vs tors. theta energy: -128.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -1372.957382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.957382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.957382 (E_RNA) where: Base-Base interactions energy: -959.178 where: short stacking energy: -392.115 Base-Backbone interact. energy: -1.066 local terms energy: -412.713248 where: bonds (distance) C4'-P energy: -77.387 bonds (distance) P-C4' energy: -100.545 flat angles C4'-P-C4' energy: -82.759 flat angles P-C4'-P energy: -55.518 tors. eta vs tors. theta energy: -96.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1331.339759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.339759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.339759 (E_RNA) where: Base-Base interactions energy: -924.851 where: short stacking energy: -380.875 Base-Backbone interact. energy: -0.697 local terms energy: -405.792002 where: bonds (distance) C4'-P energy: -80.398 bonds (distance) P-C4' energy: -85.716 flat angles C4'-P-C4' energy: -90.212 flat angles P-C4'-P energy: -58.292 tors. eta vs tors. theta energy: -91.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1085.641087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.641087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.641087 (E_RNA) where: Base-Base interactions energy: -739.301 where: short stacking energy: -300.163 Base-Backbone interact. energy: -0.533 local terms energy: -345.806324 where: bonds (distance) C4'-P energy: -54.221 bonds (distance) P-C4' energy: -98.068 flat angles C4'-P-C4' energy: -89.907 flat angles P-C4'-P energy: -40.059 tors. eta vs tors. theta energy: -63.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -839.510489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.510489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.510489 (E_RNA) where: Base-Base interactions energy: -507.522 where: short stacking energy: -263.234 Base-Backbone interact. energy: -0.473 local terms energy: -331.515030 where: bonds (distance) C4'-P energy: -79.693 bonds (distance) P-C4' energy: -85.974 flat angles C4'-P-C4' energy: -85.797 flat angles P-C4'-P energy: -43.571 tors. eta vs tors. theta energy: -36.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -739.854121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.854121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.854121 (E_RNA) where: Base-Base interactions energy: -442.595 where: short stacking energy: -195.409 Base-Backbone interact. energy: -2.670 local terms energy: -294.589282 where: bonds (distance) C4'-P energy: -63.160 bonds (distance) P-C4' energy: -79.259 flat angles C4'-P-C4' energy: -77.009 flat angles P-C4'-P energy: -53.766 tors. eta vs tors. theta energy: -21.395 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: 3 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -451.531291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.531291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.531291 (E_RNA) where: Base-Base interactions energy: -194.776 where: short stacking energy: -122.929 Base-Backbone interact. energy: 4.116 local terms energy: -260.871096 where: bonds (distance) C4'-P energy: -79.064 bonds (distance) P-C4' energy: -88.577 flat angles C4'-P-C4' energy: -68.564 flat angles P-C4'-P energy: -33.084 tors. eta vs tors. theta energy: 8.419 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: 6 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1722.305647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.305647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.305647 (E_RNA) where: Base-Base interactions energy: -1180.420 where: short stacking energy: -543.463 Base-Backbone interact. energy: -1.477 local terms energy: -540.408153 where: bonds (distance) C4'-P energy: -84.083 bonds (distance) P-C4' energy: -103.446 flat angles C4'-P-C4' energy: -110.143 flat angles P-C4'-P energy: -79.559 tors. eta vs tors. theta energy: -163.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1643.556009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.556009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.556009 (E_RNA) where: Base-Base interactions energy: -1115.525 where: short stacking energy: -488.886 Base-Backbone interact. energy: -2.416 local terms energy: -525.614704 where: bonds (distance) C4'-P energy: -97.954 bonds (distance) P-C4' energy: -94.085 flat angles C4'-P-C4' energy: -110.978 flat angles P-C4'-P energy: -76.066 tors. eta vs tors. theta energy: -146.532 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: 2 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1609.962870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.962870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.962870 (E_RNA) where: Base-Base interactions energy: -1110.650 where: short stacking energy: -479.926 Base-Backbone interact. energy: -2.616 local terms energy: -496.696720 where: bonds (distance) C4'-P energy: -92.463 bonds (distance) P-C4' energy: -93.504 flat angles C4'-P-C4' energy: -105.003 flat angles P-C4'-P energy: -55.507 tors. eta vs tors. theta energy: -150.219 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: 4, replica: 10 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1543.604164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.604164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.604164 (E_RNA) where: Base-Base interactions energy: -1068.418 where: short stacking energy: -467.179 Base-Backbone interact. energy: -0.917 local terms energy: -474.268336 where: bonds (distance) C4'-P energy: -91.710 bonds (distance) P-C4' energy: -88.617 flat angles C4'-P-C4' energy: -99.278 flat angles P-C4'-P energy: -52.801 tors. eta vs tors. theta energy: -141.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1395.682201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.682201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.682201 (E_RNA) where: Base-Base interactions energy: -1000.754 where: short stacking energy: -398.915 Base-Backbone interact. energy: 3.646 local terms energy: -398.573905 where: bonds (distance) C4'-P energy: -84.879 bonds (distance) P-C4' energy: -68.823 flat angles C4'-P-C4' energy: -92.078 flat angles P-C4'-P energy: -51.939 tors. eta vs tors. theta energy: -100.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1330.131541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.131541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.131541 (E_RNA) where: Base-Base interactions energy: -905.632 where: short stacking energy: -391.043 Base-Backbone interact. energy: -0.082 local terms energy: -424.417992 where: bonds (distance) C4'-P energy: -86.744 bonds (distance) P-C4' energy: -86.937 flat angles C4'-P-C4' energy: -89.623 flat angles P-C4'-P energy: -59.697 tors. eta vs tors. theta energy: -101.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1222.855257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.855257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.855257 (E_RNA) where: Base-Base interactions energy: -801.734 where: short stacking energy: -342.430 Base-Backbone interact. energy: -2.649 local terms energy: -418.472468 where: bonds (distance) C4'-P energy: -85.981 bonds (distance) P-C4' energy: -90.411 flat angles C4'-P-C4' energy: -85.599 flat angles P-C4'-P energy: -64.333 tors. eta vs tors. theta energy: -92.148 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: 264 Temperature: 1.250000 Total energy: -878.216830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.216830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.216830 (E_RNA) where: Base-Base interactions energy: -504.590 where: short stacking energy: -254.094 Base-Backbone interact. energy: -0.532 local terms energy: -373.095425 where: bonds (distance) C4'-P energy: -80.402 bonds (distance) P-C4' energy: -103.458 flat angles C4'-P-C4' energy: -91.903 flat angles P-C4'-P energy: -41.264 tors. eta vs tors. theta energy: -56.069 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: 9 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -672.220136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.220136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.220136 (E_RNA) where: Base-Base interactions energy: -388.477 where: short stacking energy: -195.057 Base-Backbone interact. energy: -0.250 local terms energy: -283.492781 where: bonds (distance) C4'-P energy: -75.268 bonds (distance) P-C4' energy: -71.067 flat angles C4'-P-C4' energy: -65.227 flat angles P-C4'-P energy: -50.147 tors. eta vs tors. theta energy: -21.784 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: 10, replica: 3 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -446.190198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.190198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.190198 (E_RNA) where: Base-Base interactions energy: -203.040 where: short stacking energy: -134.859 Base-Backbone interact. energy: 4.507 local terms energy: -247.657650 where: bonds (distance) C4'-P energy: -65.256 bonds (distance) P-C4' energy: -87.276 flat angles C4'-P-C4' energy: -70.146 flat angles P-C4'-P energy: -30.027 tors. eta vs tors. theta energy: 5.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1724.981139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.981139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.981139 (E_RNA) where: Base-Base interactions energy: -1169.806 where: short stacking energy: -513.437 Base-Backbone interact. energy: 1.314 local terms energy: -556.488456 where: bonds (distance) C4'-P energy: -95.780 bonds (distance) P-C4' energy: -94.090 flat angles C4'-P-C4' energy: -116.209 flat angles P-C4'-P energy: -84.331 tors. eta vs tors. theta energy: -166.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1631.418089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.418089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.418089 (E_RNA) where: Base-Base interactions energy: -1110.157 where: short stacking energy: -489.509 Base-Backbone interact. energy: -1.678 local terms energy: -519.583519 where: bonds (distance) C4'-P energy: -102.630 bonds (distance) P-C4' energy: -105.324 flat angles C4'-P-C4' energy: -99.518 flat angles P-C4'-P energy: -69.789 tors. eta vs tors. theta energy: -142.322 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: 265 Temperature: 1.000000 Total energy: -1599.058726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.058726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.058726 (E_RNA) where: Base-Base interactions energy: -1093.648 where: short stacking energy: -481.589 Base-Backbone interact. energy: -4.758 local terms energy: -500.653014 where: bonds (distance) C4'-P energy: -87.254 bonds (distance) P-C4' energy: -99.270 flat angles C4'-P-C4' energy: -94.781 flat angles P-C4'-P energy: -69.933 tors. eta vs tors. theta energy: -149.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1509.474583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.474583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.474583 (E_RNA) where: Base-Base interactions energy: -1047.437 where: short stacking energy: -437.594 Base-Backbone interact. energy: -1.711 local terms energy: -460.326494 where: bonds (distance) C4'-P energy: -69.676 bonds (distance) P-C4' energy: -87.665 flat angles C4'-P-C4' energy: -101.088 flat angles P-C4'-P energy: -71.043 tors. eta vs tors. theta energy: -130.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -1381.834774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.834774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.834774 (E_RNA) where: Base-Base interactions energy: -944.925 where: short stacking energy: -393.750 Base-Backbone interact. energy: -2.112 local terms energy: -434.797129 where: bonds (distance) C4'-P energy: -92.088 bonds (distance) P-C4' energy: -80.588 flat angles C4'-P-C4' energy: -98.670 flat angles P-C4'-P energy: -59.170 tors. eta vs tors. theta energy: -104.280 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: 5 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1325.569513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.569513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.569513 (E_RNA) where: Base-Base interactions energy: -912.518 where: short stacking energy: -391.062 Base-Backbone interact. energy: -1.879 local terms energy: -411.172464 where: bonds (distance) C4'-P energy: -84.794 bonds (distance) P-C4' energy: -79.606 flat angles C4'-P-C4' energy: -86.812 flat angles P-C4'-P energy: -50.841 tors. eta vs tors. theta energy: -109.120 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: 7 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1164.278488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.278488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.278488 (E_RNA) where: Base-Base interactions energy: -770.911 where: short stacking energy: -327.828 Base-Backbone interact. energy: -0.787 local terms energy: -392.579750 where: bonds (distance) C4'-P energy: -80.006 bonds (distance) P-C4' energy: -86.727 flat angles C4'-P-C4' energy: -93.133 flat angles P-C4'-P energy: -56.759 tors. eta vs tors. theta energy: -75.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -860.838215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.838215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.838215 (E_RNA) where: Base-Base interactions energy: -537.690 where: short stacking energy: -260.424 Base-Backbone interact. energy: -0.936 local terms energy: -322.212461 where: bonds (distance) C4'-P energy: -90.333 bonds (distance) P-C4' energy: -72.529 flat angles C4'-P-C4' energy: -82.201 flat angles P-C4'-P energy: -46.553 tors. eta vs tors. theta energy: -30.597 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: 9, replica: 9 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -725.103995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.103995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.103995 (E_RNA) where: Base-Base interactions energy: -407.446 where: short stacking energy: -234.643 Base-Backbone interact. energy: -2.109 local terms energy: -315.548861 where: bonds (distance) C4'-P energy: -80.638 bonds (distance) P-C4' energy: -79.882 flat angles C4'-P-C4' energy: -75.203 flat angles P-C4'-P energy: -44.595 tors. eta vs tors. theta energy: -35.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -458.504469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.504469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.504469 (E_RNA) where: Base-Base interactions energy: -193.050 where: short stacking energy: -141.655 Base-Backbone interact. energy: -1.059 local terms energy: -264.395248 where: bonds (distance) C4'-P energy: -80.821 bonds (distance) P-C4' energy: -79.118 flat angles C4'-P-C4' energy: -67.287 flat angles P-C4'-P energy: -39.609 tors. eta vs tors. theta energy: 2.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1737.467889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.467889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.467889 (E_RNA) where: Base-Base interactions energy: -1186.240 where: short stacking energy: -525.369 Base-Backbone interact. energy: -1.431 local terms energy: -549.796673 where: bonds (distance) C4'-P energy: -84.014 bonds (distance) P-C4' energy: -116.734 flat angles C4'-P-C4' energy: -109.379 flat angles P-C4'-P energy: -79.997 tors. eta vs tors. theta energy: -159.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1654.542244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.542244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.542244 (E_RNA) where: Base-Base interactions energy: -1140.577 where: short stacking energy: -519.096 Base-Backbone interact. energy: 4.722 local terms energy: -518.686604 where: bonds (distance) C4'-P energy: -91.032 bonds (distance) P-C4' energy: -84.184 flat angles C4'-P-C4' energy: -113.978 flat angles P-C4'-P energy: -80.093 tors. eta vs tors. theta energy: -149.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1584.282106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.282106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.282106 (E_RNA) where: Base-Base interactions energy: -1086.530 where: short stacking energy: -456.297 Base-Backbone interact. energy: -1.829 local terms energy: -495.922824 where: bonds (distance) C4'-P energy: -86.945 bonds (distance) P-C4' energy: -94.279 flat angles C4'-P-C4' energy: -104.523 flat angles P-C4'-P energy: -64.332 tors. eta vs tors. theta energy: -145.844 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: 10 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1571.278616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.278616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.278616 (E_RNA) where: Base-Base interactions energy: -1076.565 where: short stacking energy: -451.429 Base-Backbone interact. energy: -2.247 local terms energy: -492.466743 where: bonds (distance) C4'-P energy: -94.524 bonds (distance) P-C4' energy: -88.324 flat angles C4'-P-C4' energy: -101.507 flat angles P-C4'-P energy: -73.324 tors. eta vs tors. theta energy: -134.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -1356.310612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.310612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.310612 (E_RNA) where: Base-Base interactions energy: -896.340 where: short stacking energy: -392.977 Base-Backbone interact. energy: -1.251 local terms energy: -458.719381 where: bonds (distance) C4'-P energy: -83.500 bonds (distance) P-C4' energy: -94.158 flat angles C4'-P-C4' energy: -109.231 flat angles P-C4'-P energy: -66.313 tors. eta vs tors. theta energy: -105.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1308.934309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.934309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.934309 (E_RNA) where: Base-Base interactions energy: -923.158 where: short stacking energy: -375.121 Base-Backbone interact. energy: -1.619 local terms energy: -384.156481 where: bonds (distance) C4'-P energy: -78.499 bonds (distance) P-C4' energy: -79.688 flat angles C4'-P-C4' energy: -89.542 flat angles P-C4'-P energy: -37.937 tors. eta vs tors. theta energy: -98.490 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: 7, replica: 7 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1194.250996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.250996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.250996 (E_RNA) where: Base-Base interactions energy: -812.920 where: short stacking energy: -342.685 Base-Backbone interact. energy: -2.080 local terms energy: -379.251205 where: bonds (distance) C4'-P energy: -74.154 bonds (distance) P-C4' energy: -84.803 flat angles C4'-P-C4' energy: -82.829 flat angles P-C4'-P energy: -67.280 tors. eta vs tors. theta energy: -70.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -810.141677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.141677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.141677 (E_RNA) where: Base-Base interactions energy: -453.942 where: short stacking energy: -231.718 Base-Backbone interact. energy: -0.954 local terms energy: -355.246207 where: bonds (distance) C4'-P energy: -84.001 bonds (distance) P-C4' energy: -89.006 flat angles C4'-P-C4' energy: -80.310 flat angles P-C4'-P energy: -49.884 tors. eta vs tors. theta energy: -52.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -721.265259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.265259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.265259 (E_RNA) where: Base-Base interactions energy: -423.165 where: short stacking energy: -189.919 Base-Backbone interact. energy: -0.709 local terms energy: -297.390826 where: bonds (distance) C4'-P energy: -84.584 bonds (distance) P-C4' energy: -68.525 flat angles C4'-P-C4' energy: -71.640 flat angles P-C4'-P energy: -49.284 tors. eta vs tors. theta energy: -23.358 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: 3 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -444.219800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.219800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.219800 (E_RNA) where: Base-Base interactions energy: -186.768 where: short stacking energy: -124.937 Base-Backbone interact. energy: -1.855 local terms energy: -255.596558 where: bonds (distance) C4'-P energy: -69.126 bonds (distance) P-C4' energy: -81.563 flat angles C4'-P-C4' energy: -57.768 flat angles P-C4'-P energy: -48.294 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: 6 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1742.213934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.213934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.213934 (E_RNA) where: Base-Base interactions energy: -1196.556 where: short stacking energy: -545.386 Base-Backbone interact. energy: -2.507 local terms energy: -543.150992 where: bonds (distance) C4'-P energy: -86.797 bonds (distance) P-C4' energy: -95.393 flat angles C4'-P-C4' energy: -109.388 flat angles P-C4'-P energy: -89.303 tors. eta vs tors. theta energy: -162.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1631.315166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.315166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.315166 (E_RNA) where: Base-Base interactions energy: -1106.225 where: short stacking energy: -487.101 Base-Backbone interact. energy: 0.973 local terms energy: -526.063211 where: bonds (distance) C4'-P energy: -90.113 bonds (distance) P-C4' energy: -104.364 flat angles C4'-P-C4' energy: -110.153 flat angles P-C4'-P energy: -78.928 tors. eta vs tors. theta energy: -142.505 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: 2 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1581.496185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.496185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.496185 (E_RNA) where: Base-Base interactions energy: -1056.779 where: short stacking energy: -455.397 Base-Backbone interact. energy: 0.659 local terms energy: -525.376697 where: bonds (distance) C4'-P energy: -106.106 bonds (distance) P-C4' energy: -95.180 flat angles C4'-P-C4' energy: -105.042 flat angles P-C4'-P energy: -80.320 tors. eta vs tors. theta energy: -138.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1516.319766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.319766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.319766 (E_RNA) where: Base-Base interactions energy: -1041.176 where: short stacking energy: -448.221 Base-Backbone interact. energy: -1.772 local terms energy: -473.372647 where: bonds (distance) C4'-P energy: -89.064 bonds (distance) P-C4' energy: -90.839 flat angles C4'-P-C4' energy: -102.143 flat angles P-C4'-P energy: -62.308 tors. eta vs tors. theta energy: -129.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1334.209131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.209131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.209131 (E_RNA) where: Base-Base interactions energy: -917.329 where: short stacking energy: -370.695 Base-Backbone interact. energy: -1.696 local terms energy: -415.184704 where: bonds (distance) C4'-P energy: -90.720 bonds (distance) P-C4' energy: -72.719 flat angles C4'-P-C4' energy: -81.861 flat angles P-C4'-P energy: -67.006 tors. eta vs tors. theta energy: -102.878 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: 4 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1301.721790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.721790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.721790 (E_RNA) where: Base-Base interactions energy: -901.879 where: short stacking energy: -352.920 Base-Backbone interact. energy: -4.975 local terms energy: -394.868573 where: bonds (distance) C4'-P energy: -85.232 bonds (distance) P-C4' energy: -79.893 flat angles C4'-P-C4' energy: -92.699 flat angles P-C4'-P energy: -55.106 tors. eta vs tors. theta energy: -81.940 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: 7 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1155.833596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.833596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.833596 (E_RNA) where: Base-Base interactions energy: -751.313 where: short stacking energy: -327.439 Base-Backbone interact. energy: -0.181 local terms energy: -404.339645 where: bonds (distance) C4'-P energy: -86.370 bonds (distance) P-C4' energy: -76.674 flat angles C4'-P-C4' energy: -95.043 flat angles P-C4'-P energy: -54.065 tors. eta vs tors. theta energy: -92.188 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: 1 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -819.944531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.944531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.944531 (E_RNA) where: Base-Base interactions energy: -500.971 where: short stacking energy: -267.030 Base-Backbone interact. energy: -2.005 local terms energy: -316.969164 where: bonds (distance) C4'-P energy: -71.663 bonds (distance) P-C4' energy: -77.691 flat angles C4'-P-C4' energy: -72.831 flat angles P-C4'-P energy: -45.647 tors. eta vs tors. theta energy: -49.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -707.310495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.310495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.310495 (E_RNA) where: Base-Base interactions energy: -444.965 where: short stacking energy: -215.785 Base-Backbone interact. energy: -1.032 local terms energy: -261.313715 where: bonds (distance) C4'-P energy: -66.263 bonds (distance) P-C4' energy: -57.200 flat angles C4'-P-C4' energy: -64.478 flat angles P-C4'-P energy: -51.488 tors. eta vs tors. theta energy: -21.885 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: 3 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -443.604881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.604881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.604881 (E_RNA) where: Base-Base interactions energy: -189.144 where: short stacking energy: -133.723 Base-Backbone interact. energy: -0.040 local terms energy: -254.420684 where: bonds (distance) C4'-P energy: -78.399 bonds (distance) P-C4' energy: -76.766 flat angles C4'-P-C4' energy: -77.133 flat angles P-C4'-P energy: -25.800 tors. eta vs tors. theta energy: 3.678 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: 6 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1736.516433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.516433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.516433 (E_RNA) where: Base-Base interactions energy: -1194.875 where: short stacking energy: -524.531 Base-Backbone interact. energy: -3.259 local terms energy: -538.383186 where: bonds (distance) C4'-P energy: -101.461 bonds (distance) P-C4' energy: -90.430 flat angles C4'-P-C4' energy: -106.847 flat angles P-C4'-P energy: -86.371 tors. eta vs tors. theta energy: -153.273 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: 268 Temperature: 0.950000 Total energy: -1654.516077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.516077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.516077 (E_RNA) where: Base-Base interactions energy: -1138.460 where: short stacking energy: -504.475 Base-Backbone interact. energy: 0.678 local terms energy: -516.734720 where: bonds (distance) C4'-P energy: -99.166 bonds (distance) P-C4' energy: -100.854 flat angles C4'-P-C4' energy: -108.614 flat angles P-C4'-P energy: -69.624 tors. eta vs tors. theta energy: -138.477 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: 2 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1604.757345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.757345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.757345 (E_RNA) where: Base-Base interactions energy: -1098.499 where: short stacking energy: -459.396 Base-Backbone interact. energy: -2.128 local terms energy: -504.130427 where: bonds (distance) C4'-P energy: -88.827 bonds (distance) P-C4' energy: -88.941 flat angles C4'-P-C4' energy: -113.774 flat angles P-C4'-P energy: -76.733 tors. eta vs tors. theta energy: -135.855 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: 10 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1551.203979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.203979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.203979 (E_RNA) where: Base-Base interactions energy: -1094.942 where: short stacking energy: -455.470 Base-Backbone interact. energy: -1.520 local terms energy: -454.741927 where: bonds (distance) C4'-P energy: -86.327 bonds (distance) P-C4' energy: -84.528 flat angles C4'-P-C4' energy: -89.173 flat angles P-C4'-P energy: -66.364 tors. eta vs tors. theta energy: -128.349 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: 4 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1346.941235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.941235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.941235 (E_RNA) where: Base-Base interactions energy: -903.203 where: short stacking energy: -344.581 Base-Backbone interact. energy: -4.073 local terms energy: -439.665688 where: bonds (distance) C4'-P energy: -87.244 bonds (distance) P-C4' energy: -89.535 flat angles C4'-P-C4' energy: -112.843 flat angles P-C4'-P energy: -63.343 tors. eta vs tors. theta energy: -86.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1292.210847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.210847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.210847 (E_RNA) where: Base-Base interactions energy: -868.027 where: short stacking energy: -333.249 Base-Backbone interact. energy: 1.304 local terms energy: -425.488272 where: bonds (distance) C4'-P energy: -80.179 bonds (distance) P-C4' energy: -93.102 flat angles C4'-P-C4' energy: -103.736 flat angles P-C4'-P energy: -62.453 tors. eta vs tors. theta energy: -86.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1137.999782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.999782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.999782 (E_RNA) where: Base-Base interactions energy: -744.520 where: short stacking energy: -318.168 Base-Backbone interact. energy: -0.197 local terms energy: -393.283221 where: bonds (distance) C4'-P energy: -91.085 bonds (distance) P-C4' energy: -87.386 flat angles C4'-P-C4' energy: -95.373 flat angles P-C4'-P energy: -44.547 tors. eta vs tors. theta energy: -74.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -855.087214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.087214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.087214 (E_RNA) where: Base-Base interactions energy: -523.532 where: short stacking energy: -268.302 Base-Backbone interact. energy: 0.185 local terms energy: -331.739997 where: bonds (distance) C4'-P energy: -69.848 bonds (distance) P-C4' energy: -80.631 flat angles C4'-P-C4' energy: -73.626 flat angles P-C4'-P energy: -58.613 tors. eta vs tors. theta energy: -49.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -662.718662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.718662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.718662 (E_RNA) where: Base-Base interactions energy: -367.573 where: short stacking energy: -194.284 Base-Backbone interact. energy: -1.220 local terms energy: -293.925276 where: bonds (distance) C4'-P energy: -74.602 bonds (distance) P-C4' energy: -90.936 flat angles C4'-P-C4' energy: -67.396 flat angles P-C4'-P energy: -37.564 tors. eta vs tors. theta energy: -23.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -487.429835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.429835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.429835 (E_RNA) where: Base-Base interactions energy: -215.454 where: short stacking energy: -137.903 Base-Backbone interact. energy: -0.311 local terms energy: -271.664650 where: bonds (distance) C4'-P energy: -87.739 bonds (distance) P-C4' energy: -70.323 flat angles C4'-P-C4' energy: -72.798 flat angles P-C4'-P energy: -33.651 tors. eta vs tors. theta energy: -7.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1758.745465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.745465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.745465 (E_RNA) where: Base-Base interactions energy: -1208.473 where: short stacking energy: -560.344 Base-Backbone interact. energy: -3.351 local terms energy: -546.921564 where: bonds (distance) C4'-P energy: -93.390 bonds (distance) P-C4' energy: -97.857 flat angles C4'-P-C4' energy: -109.762 flat angles P-C4'-P energy: -77.838 tors. eta vs tors. theta energy: -168.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1643.145691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.145691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.145691 (E_RNA) where: Base-Base interactions energy: -1120.957 where: short stacking energy: -487.641 Base-Backbone interact. energy: -2.706 local terms energy: -519.482381 where: bonds (distance) C4'-P energy: -99.881 bonds (distance) P-C4' energy: -92.644 flat angles C4'-P-C4' energy: -110.878 flat angles P-C4'-P energy: -68.754 tors. eta vs tors. theta energy: -147.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1624.432264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.432264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.432264 (E_RNA) where: Base-Base interactions energy: -1136.377 where: short stacking energy: -487.306 Base-Backbone interact. energy: -2.687 local terms energy: -485.368613 where: bonds (distance) C4'-P energy: -81.180 bonds (distance) P-C4' energy: -86.851 flat angles C4'-P-C4' energy: -99.432 flat angles P-C4'-P energy: -79.636 tors. eta vs tors. theta energy: -138.270 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: 10 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1527.391562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.391562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.391562 (E_RNA) where: Base-Base interactions energy: -1058.551 where: short stacking energy: -439.024 Base-Backbone interact. energy: -2.913 local terms energy: -465.927596 where: bonds (distance) C4'-P energy: -87.793 bonds (distance) P-C4' energy: -84.550 flat angles C4'-P-C4' energy: -98.540 flat angles P-C4'-P energy: -68.452 tors. eta vs tors. theta energy: -126.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1383.102562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.102562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.102562 (E_RNA) where: Base-Base interactions energy: -952.586 where: short stacking energy: -390.676 Base-Backbone interact. energy: -2.239 local terms energy: -428.277727 where: bonds (distance) C4'-P energy: -87.151 bonds (distance) P-C4' energy: -85.327 flat angles C4'-P-C4' energy: -95.647 flat angles P-C4'-P energy: -51.864 tors. eta vs tors. theta energy: -108.290 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: 5 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1365.067375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.067375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.067375 (E_RNA) where: Base-Base interactions energy: -950.466 where: short stacking energy: -387.274 Base-Backbone interact. energy: -1.575 local terms energy: -413.026975 where: bonds (distance) C4'-P energy: -82.367 bonds (distance) P-C4' energy: -87.504 flat angles C4'-P-C4' energy: -82.109 flat angles P-C4'-P energy: -58.897 tors. eta vs tors. theta energy: -102.151 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: 7, replica: 7 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1195.493362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.493362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.493362 (E_RNA) where: Base-Base interactions energy: -792.318 where: short stacking energy: -361.975 Base-Backbone interact. energy: -1.404 local terms energy: -401.771544 where: bonds (distance) C4'-P energy: -82.815 bonds (distance) P-C4' energy: -70.301 flat angles C4'-P-C4' energy: -95.553 flat angles P-C4'-P energy: -60.859 tors. eta vs tors. theta energy: -92.244 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: 1 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -864.493737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.493737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.493737 (E_RNA) where: Base-Base interactions energy: -533.601 where: short stacking energy: -251.836 Base-Backbone interact. energy: -1.029 local terms energy: -329.863828 where: bonds (distance) C4'-P energy: -93.739 bonds (distance) P-C4' energy: -79.723 flat angles C4'-P-C4' energy: -67.416 flat angles P-C4'-P energy: -48.119 tors. eta vs tors. theta energy: -40.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -668.347422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.347422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.347422 (E_RNA) where: Base-Base interactions energy: -385.610 where: short stacking energy: -177.169 Base-Backbone interact. energy: -2.478 local terms energy: -280.259101 where: bonds (distance) C4'-P energy: -84.257 bonds (distance) P-C4' energy: -78.660 flat angles C4'-P-C4' energy: -61.717 flat angles P-C4'-P energy: -42.636 tors. eta vs tors. theta energy: -12.989 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: 3 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -445.663662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.663662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.663662 (E_RNA) where: Base-Base interactions energy: -199.712 where: short stacking energy: -129.662 Base-Backbone interact. energy: -1.337 local terms energy: -244.614507 where: bonds (distance) C4'-P energy: -62.238 bonds (distance) P-C4' energy: -80.411 flat angles C4'-P-C4' energy: -57.161 flat angles P-C4'-P energy: -46.557 tors. eta vs tors. theta energy: 1.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1744.295291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.295291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.295291 (E_RNA) where: Base-Base interactions energy: -1185.894 where: short stacking energy: -550.936 Base-Backbone interact. energy: -0.784 local terms energy: -557.617382 where: bonds (distance) C4'-P energy: -101.740 bonds (distance) P-C4' energy: -94.642 flat angles C4'-P-C4' energy: -111.779 flat angles P-C4'-P energy: -86.923 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: 2, replica: 2 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1661.032913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.032913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.032913 (E_RNA) where: Base-Base interactions energy: -1147.461 where: short stacking energy: -499.493 Base-Backbone interact. energy: 0.585 local terms energy: -514.157265 where: bonds (distance) C4'-P energy: -100.764 bonds (distance) P-C4' energy: -94.645 flat angles C4'-P-C4' energy: -103.609 flat angles P-C4'-P energy: -71.472 tors. eta vs tors. theta energy: -143.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1613.396942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.396942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.396942 (E_RNA) where: Base-Base interactions energy: -1110.237 where: short stacking energy: -482.359 Base-Backbone interact. energy: -1.991 local terms energy: -501.169207 where: bonds (distance) C4'-P energy: -94.957 bonds (distance) P-C4' energy: -87.523 flat angles C4'-P-C4' energy: -105.375 flat angles P-C4'-P energy: -76.856 tors. eta vs tors. theta energy: -136.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1544.098086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.098086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.098086 (E_RNA) where: Base-Base interactions energy: -1055.663 where: short stacking energy: -444.343 Base-Backbone interact. energy: -0.562 local terms energy: -487.873106 where: bonds (distance) C4'-P energy: -92.515 bonds (distance) P-C4' energy: -81.460 flat angles C4'-P-C4' energy: -105.471 flat angles P-C4'-P energy: -81.576 tors. eta vs tors. theta energy: -126.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -1360.584047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.584047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.584047 (E_RNA) where: Base-Base interactions energy: -949.121 where: short stacking energy: -390.431 Base-Backbone interact. energy: 1.071 local terms energy: -412.534135 where: bonds (distance) C4'-P energy: -75.379 bonds (distance) P-C4' energy: -87.174 flat angles C4'-P-C4' energy: -84.028 flat angles P-C4'-P energy: -63.134 tors. eta vs tors. theta energy: -102.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1281.827826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.827826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.827826 (E_RNA) where: Base-Base interactions energy: -881.998 where: short stacking energy: -364.360 Base-Backbone interact. energy: -0.380 local terms energy: -399.449787 where: bonds (distance) C4'-P energy: -84.030 bonds (distance) P-C4' energy: -77.552 flat angles C4'-P-C4' energy: -90.726 flat angles P-C4'-P energy: -64.522 tors. eta vs tors. theta energy: -82.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1176.005498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.005498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.005498 (E_RNA) where: Base-Base interactions energy: -790.022 where: short stacking energy: -338.147 Base-Backbone interact. energy: -0.975 local terms energy: -385.008643 where: bonds (distance) C4'-P energy: -84.168 bonds (distance) P-C4' energy: -84.146 flat angles C4'-P-C4' energy: -70.701 flat angles P-C4'-P energy: -51.825 tors. eta vs tors. theta energy: -94.168 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: 1 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -912.256250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.256250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.256250 (E_RNA) where: Base-Base interactions energy: -563.995 where: short stacking energy: -258.885 Base-Backbone interact. energy: 0.019 local terms energy: -348.279755 where: bonds (distance) C4'-P energy: -86.949 bonds (distance) P-C4' energy: -75.895 flat angles C4'-P-C4' energy: -86.754 flat angles P-C4'-P energy: -52.483 tors. eta vs tors. theta energy: -46.199 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: 9 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -671.416160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.416160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.416160 (E_RNA) where: Base-Base interactions energy: -359.257 where: short stacking energy: -178.598 Base-Backbone interact. energy: -1.357 local terms energy: -310.802323 where: bonds (distance) C4'-P energy: -82.022 bonds (distance) P-C4' energy: -85.626 flat angles C4'-P-C4' energy: -74.777 flat angles P-C4'-P energy: -64.289 tors. eta vs tors. theta energy: -4.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -446.464714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.464714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.464714 (E_RNA) where: Base-Base interactions energy: -165.151 where: short stacking energy: -108.162 Base-Backbone interact. energy: -0.781 local terms energy: -280.532946 where: bonds (distance) C4'-P energy: -63.919 bonds (distance) P-C4' energy: -90.245 flat angles C4'-P-C4' energy: -83.687 flat angles P-C4'-P energy: -41.619 tors. eta vs tors. theta energy: -1.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1758.731043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.731043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.731043 (E_RNA) where: Base-Base interactions energy: -1205.973 where: short stacking energy: -557.048 Base-Backbone interact. energy: -2.595 local terms energy: -550.163947 where: bonds (distance) C4'-P energy: -92.305 bonds (distance) P-C4' energy: -97.927 flat angles C4'-P-C4' energy: -117.674 flat angles P-C4'-P energy: -82.851 tors. eta vs tors. theta energy: -159.407 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: 2, replica: 2 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1677.825617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.825617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.825617 (E_RNA) where: Base-Base interactions energy: -1162.460 where: short stacking energy: -526.486 Base-Backbone interact. energy: 3.773 local terms energy: -519.139036 where: bonds (distance) C4'-P energy: -89.143 bonds (distance) P-C4' energy: -93.506 flat angles C4'-P-C4' energy: -111.759 flat angles P-C4'-P energy: -66.368 tors. eta vs tors. theta energy: -158.362 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: 8 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1611.270620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.270620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.270620 (E_RNA) where: Base-Base interactions energy: -1117.538 where: short stacking energy: -495.048 Base-Backbone interact. energy: -1.999 local terms energy: -491.734314 where: bonds (distance) C4'-P energy: -80.164 bonds (distance) P-C4' energy: -88.408 flat angles C4'-P-C4' energy: -106.449 flat angles P-C4'-P energy: -72.505 tors. eta vs tors. theta energy: -144.208 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: 271 Temperature: 1.050000 Total energy: -1530.738539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.738539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.738539 (E_RNA) where: Base-Base interactions energy: -1052.217 where: short stacking energy: -413.835 Base-Backbone interact. energy: -3.197 local terms energy: -475.325263 where: bonds (distance) C4'-P energy: -95.788 bonds (distance) P-C4' energy: -100.515 flat angles C4'-P-C4' energy: -98.088 flat angles P-C4'-P energy: -57.482 tors. eta vs tors. theta energy: -123.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1346.599954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.599954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.599954 (E_RNA) where: Base-Base interactions energy: -905.548 where: short stacking energy: -374.189 Base-Backbone interact. energy: 0.094 local terms energy: -441.146127 where: bonds (distance) C4'-P energy: -88.453 bonds (distance) P-C4' energy: -89.605 flat angles C4'-P-C4' energy: -104.269 flat angles P-C4'-P energy: -63.490 tors. eta vs tors. theta energy: -95.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1260.331603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.331603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.331603 (E_RNA) where: Base-Base interactions energy: -856.003 where: short stacking energy: -368.923 Base-Backbone interact. energy: -1.266 local terms energy: -403.062954 where: bonds (distance) C4'-P energy: -86.049 bonds (distance) P-C4' energy: -80.379 flat angles C4'-P-C4' energy: -99.840 flat angles P-C4'-P energy: -47.679 tors. eta vs tors. theta energy: -89.115 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: 7 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1265.007015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.007015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.007015 (E_RNA) where: Base-Base interactions energy: -853.739 where: short stacking energy: -377.200 Base-Backbone interact. energy: -1.183 local terms energy: -410.085142 where: bonds (distance) C4'-P energy: -67.403 bonds (distance) P-C4' energy: -85.861 flat angles C4'-P-C4' energy: -88.988 flat angles P-C4'-P energy: -61.299 tors. eta vs tors. theta energy: -106.533 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: 271 Temperature: 1.250000 Total energy: -871.666486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.666486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.666486 (E_RNA) where: Base-Base interactions energy: -547.359 where: short stacking energy: -272.252 Base-Backbone interact. energy: -0.543 local terms energy: -323.764127 where: bonds (distance) C4'-P energy: -78.193 bonds (distance) P-C4' energy: -78.780 flat angles C4'-P-C4' energy: -76.609 flat angles P-C4'-P energy: -46.369 tors. eta vs tors. theta energy: -43.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -630.816113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.816113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.816113 (E_RNA) where: Base-Base interactions energy: -341.462 where: short stacking energy: -192.460 Base-Backbone interact. energy: -0.827 local terms energy: -288.527234 where: bonds (distance) C4'-P energy: -66.860 bonds (distance) P-C4' energy: -86.050 flat angles C4'-P-C4' energy: -78.334 flat angles P-C4'-P energy: -47.042 tors. eta vs tors. theta energy: -10.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -478.967417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.967417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.967417 (E_RNA) where: Base-Base interactions energy: -212.511 where: short stacking energy: -117.466 Base-Backbone interact. energy: -2.081 local terms energy: -264.375405 where: bonds (distance) C4'-P energy: -72.287 bonds (distance) P-C4' energy: -85.113 flat angles C4'-P-C4' energy: -56.279 flat angles P-C4'-P energy: -33.196 tors. eta vs tors. theta energy: -17.500 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: 6 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1750.800339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.800339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.800339 (E_RNA) where: Base-Base interactions energy: -1198.592 where: short stacking energy: -537.812 Base-Backbone interact. energy: -2.754 local terms energy: -549.454522 where: bonds (distance) C4'-P energy: -93.489 bonds (distance) P-C4' energy: -95.725 flat angles C4'-P-C4' energy: -113.818 flat angles P-C4'-P energy: -78.173 tors. eta vs tors. theta energy: -168.250 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: 272 Temperature: 0.950000 Total energy: -1665.622538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.622538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.622538 (E_RNA) where: Base-Base interactions energy: -1141.127 where: short stacking energy: -505.738 Base-Backbone interact. energy: -0.749 local terms energy: -523.746411 where: bonds (distance) C4'-P energy: -91.103 bonds (distance) P-C4' energy: -94.997 flat angles C4'-P-C4' energy: -113.111 flat angles P-C4'-P energy: -70.307 tors. eta vs tors. theta energy: -154.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1618.469954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.469954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.469954 (E_RNA) where: Base-Base interactions energy: -1105.043 where: short stacking energy: -497.612 Base-Backbone interact. energy: -1.301 local terms energy: -512.126040 where: bonds (distance) C4'-P energy: -98.630 bonds (distance) P-C4' energy: -90.675 flat angles C4'-P-C4' energy: -112.073 flat angles P-C4'-P energy: -67.589 tors. eta vs tors. theta energy: -143.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1515.395454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.395454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.395454 (E_RNA) where: Base-Base interactions energy: -1038.488 where: short stacking energy: -428.563 Base-Backbone interact. energy: -1.790 local terms energy: -475.117085 where: bonds (distance) C4'-P energy: -88.572 bonds (distance) P-C4' energy: -103.152 flat angles C4'-P-C4' energy: -94.329 flat angles P-C4'-P energy: -59.971 tors. eta vs tors. theta energy: -129.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1344.547616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.547616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.547616 (E_RNA) where: Base-Base interactions energy: -911.407 where: short stacking energy: -374.614 Base-Backbone interact. energy: 1.643 local terms energy: -434.783092 where: bonds (distance) C4'-P energy: -93.214 bonds (distance) P-C4' energy: -82.844 flat angles C4'-P-C4' energy: -94.835 flat angles P-C4'-P energy: -58.613 tors. eta vs tors. theta energy: -105.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1283.332129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.332129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.332129 (E_RNA) where: Base-Base interactions energy: -889.796 where: short stacking energy: -370.648 Base-Backbone interact. energy: -0.892 local terms energy: -392.643853 where: bonds (distance) C4'-P energy: -89.703 bonds (distance) P-C4' energy: -76.579 flat angles C4'-P-C4' energy: -76.130 flat angles P-C4'-P energy: -59.594 tors. eta vs tors. theta energy: -90.638 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: 7 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1192.323615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.323615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.323615 (E_RNA) where: Base-Base interactions energy: -809.747 where: short stacking energy: -349.864 Base-Backbone interact. energy: -1.412 local terms energy: -381.164260 where: bonds (distance) C4'-P energy: -80.328 bonds (distance) P-C4' energy: -72.989 flat angles C4'-P-C4' energy: -90.862 flat angles P-C4'-P energy: -56.472 tors. eta vs tors. theta energy: -80.513 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: 1 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -892.066883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.066883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.066883 (E_RNA) where: Base-Base interactions energy: -560.358 where: short stacking energy: -257.788 Base-Backbone interact. energy: 1.293 local terms energy: -333.001743 where: bonds (distance) C4'-P energy: -88.854 bonds (distance) P-C4' energy: -92.755 flat angles C4'-P-C4' energy: -69.958 flat angles P-C4'-P energy: -48.400 tors. eta vs tors. theta energy: -33.035 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: 9, replica: 9 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -688.606336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.606336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.606336 (E_RNA) where: Base-Base interactions energy: -362.527 where: short stacking energy: -204.874 Base-Backbone interact. energy: -0.944 local terms energy: -325.134498 where: bonds (distance) C4'-P energy: -85.584 bonds (distance) P-C4' energy: -89.431 flat angles C4'-P-C4' energy: -78.161 flat angles P-C4'-P energy: -54.623 tors. eta vs tors. theta energy: -17.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -474.854645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.854645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.854645 (E_RNA) where: Base-Base interactions energy: -237.161 where: short stacking energy: -140.879 Base-Backbone interact. energy: 5.665 local terms energy: -243.358639 where: bonds (distance) C4'-P energy: -91.930 bonds (distance) P-C4' energy: -69.845 flat angles C4'-P-C4' energy: -59.787 flat angles P-C4'-P energy: -34.451 tors. eta vs tors. theta energy: 12.654 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: 1, replica: 6 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1734.917094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.917094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.917094 (E_RNA) where: Base-Base interactions energy: -1189.198 where: short stacking energy: -529.265 Base-Backbone interact. energy: -2.673 local terms energy: -543.045798 where: bonds (distance) C4'-P energy: -96.457 bonds (distance) P-C4' energy: -82.426 flat angles C4'-P-C4' energy: -116.430 flat angles P-C4'-P energy: -78.906 tors. eta vs tors. theta energy: -168.826 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: 2 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1643.029059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.029059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.029059 (E_RNA) where: Base-Base interactions energy: -1134.129 where: short stacking energy: -499.303 Base-Backbone interact. energy: 0.485 local terms energy: -509.384921 where: bonds (distance) C4'-P energy: -96.587 bonds (distance) P-C4' energy: -86.260 flat angles C4'-P-C4' energy: -108.010 flat angles P-C4'-P energy: -64.551 tors. eta vs tors. theta energy: -153.977 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: 273 Temperature: 1.000000 Total energy: -1604.808735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.808735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.808735 (E_RNA) where: Base-Base interactions energy: -1102.607 where: short stacking energy: -489.609 Base-Backbone interact. energy: -4.575 local terms energy: -497.626534 where: bonds (distance) C4'-P energy: -87.589 bonds (distance) P-C4' energy: -95.169 flat angles C4'-P-C4' energy: -106.866 flat angles P-C4'-P energy: -69.342 tors. eta vs tors. theta energy: -138.660 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: 4, replica: 10 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1491.432685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.432685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.432685 (E_RNA) where: Base-Base interactions energy: -1027.498 where: short stacking energy: -417.191 Base-Backbone interact. energy: -4.831 local terms energy: -459.103767 where: bonds (distance) C4'-P energy: -81.461 bonds (distance) P-C4' energy: -86.744 flat angles C4'-P-C4' energy: -87.316 flat angles P-C4'-P energy: -76.288 tors. eta vs tors. theta energy: -127.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1378.564397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.564397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.564397 (E_RNA) where: Base-Base interactions energy: -949.019 where: short stacking energy: -368.468 Base-Backbone interact. energy: -4.846 local terms energy: -424.699801 where: bonds (distance) C4'-P energy: -84.273 bonds (distance) P-C4' energy: -92.447 flat angles C4'-P-C4' energy: -97.024 flat angles P-C4'-P energy: -64.517 tors. eta vs tors. theta energy: -86.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1240.491623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.491623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.491623 (E_RNA) where: Base-Base interactions energy: -816.865 where: short stacking energy: -367.679 Base-Backbone interact. energy: 0.521 local terms energy: -424.147245 where: bonds (distance) C4'-P energy: -78.613 bonds (distance) P-C4' energy: -84.908 flat angles C4'-P-C4' energy: -95.417 flat angles P-C4'-P energy: -68.330 tors. eta vs tors. theta energy: -96.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1255.500478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.500478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.500478 (E_RNA) where: Base-Base interactions energy: -847.821 where: short stacking energy: -366.541 Base-Backbone interact. energy: -0.989 local terms energy: -406.690700 where: bonds (distance) C4'-P energy: -74.347 bonds (distance) P-C4' energy: -82.698 flat angles C4'-P-C4' energy: -88.796 flat angles P-C4'-P energy: -62.682 tors. eta vs tors. theta energy: -98.168 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: 1 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -849.574600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.574600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.574600 (E_RNA) where: Base-Base interactions energy: -491.919 where: short stacking energy: -256.352 Base-Backbone interact. energy: 2.247 local terms energy: -359.902158 where: bonds (distance) C4'-P energy: -83.384 bonds (distance) P-C4' energy: -95.750 flat angles C4'-P-C4' energy: -77.448 flat angles P-C4'-P energy: -57.489 tors. eta vs tors. theta energy: -45.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -693.423740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.423740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.423740 (E_RNA) where: Base-Base interactions energy: -403.674 where: short stacking energy: -216.911 Base-Backbone interact. energy: -1.960 local terms energy: -287.789587 where: bonds (distance) C4'-P energy: -59.836 bonds (distance) P-C4' energy: -85.415 flat angles C4'-P-C4' energy: -73.309 flat angles P-C4'-P energy: -43.525 tors. eta vs tors. theta energy: -25.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -444.044930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.044930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.044930 (E_RNA) where: Base-Base interactions energy: -207.345 where: short stacking energy: -136.271 Base-Backbone interact. energy: 2.409 local terms energy: -239.109465 where: bonds (distance) C4'-P energy: -75.933 bonds (distance) P-C4' energy: -64.828 flat angles C4'-P-C4' energy: -75.923 flat angles P-C4'-P energy: -35.022 tors. eta vs tors. theta energy: 12.597 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: 6 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1756.408414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.408414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.408414 (E_RNA) where: Base-Base interactions energy: -1227.181 where: short stacking energy: -552.865 Base-Backbone interact. energy: -0.858 local terms energy: -528.369301 where: bonds (distance) C4'-P energy: -90.792 bonds (distance) P-C4' energy: -90.029 flat angles C4'-P-C4' energy: -108.552 flat angles P-C4'-P energy: -74.914 tors. eta vs tors. theta energy: -164.082 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: 274 Temperature: 0.950000 Total energy: -1629.234713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.234713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.234713 (E_RNA) where: Base-Base interactions energy: -1125.772 where: short stacking energy: -498.016 Base-Backbone interact. energy: 0.207 local terms energy: -503.669537 where: bonds (distance) C4'-P energy: -84.269 bonds (distance) P-C4' energy: -91.851 flat angles C4'-P-C4' energy: -108.511 flat angles P-C4'-P energy: -74.697 tors. eta vs tors. theta energy: -144.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1555.013607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.013607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.013607 (E_RNA) where: Base-Base interactions energy: -1073.776 where: short stacking energy: -454.250 Base-Backbone interact. energy: -1.900 local terms energy: -479.337860 where: bonds (distance) C4'-P energy: -96.025 bonds (distance) P-C4' energy: -76.054 flat angles C4'-P-C4' energy: -108.719 flat angles P-C4'-P energy: -67.064 tors. eta vs tors. theta energy: -131.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1561.914223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.914223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.914223 (E_RNA) where: Base-Base interactions energy: -1080.321 where: short stacking energy: -460.902 Base-Backbone interact. energy: -2.187 local terms energy: -479.406076 where: bonds (distance) C4'-P energy: -82.971 bonds (distance) P-C4' energy: -77.281 flat angles C4'-P-C4' energy: -110.144 flat angles P-C4'-P energy: -64.629 tors. eta vs tors. theta energy: -144.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1363.743458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.743458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.743458 (E_RNA) where: Base-Base interactions energy: -950.268 where: short stacking energy: -376.637 Base-Backbone interact. energy: 2.029 local terms energy: -415.503891 where: bonds (distance) C4'-P energy: -80.136 bonds (distance) P-C4' energy: -87.881 flat angles C4'-P-C4' energy: -88.346 flat angles P-C4'-P energy: -68.197 tors. eta vs tors. theta energy: -90.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -1224.178608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.178608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.178608 (E_RNA) where: Base-Base interactions energy: -836.914 where: short stacking energy: -381.511 Base-Backbone interact. energy: -2.067 local terms energy: -385.197611 where: bonds (distance) C4'-P energy: -52.364 bonds (distance) P-C4' energy: -90.823 flat angles C4'-P-C4' energy: -91.973 flat angles P-C4'-P energy: -55.285 tors. eta vs tors. theta energy: -94.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1223.790352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.790352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.790352 (E_RNA) where: Base-Base interactions energy: -837.871 where: short stacking energy: -368.516 Base-Backbone interact. energy: 2.819 local terms energy: -388.739272 where: bonds (distance) C4'-P energy: -79.992 bonds (distance) P-C4' energy: -67.984 flat angles C4'-P-C4' energy: -95.022 flat angles P-C4'-P energy: -61.634 tors. eta vs tors. theta energy: -84.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -843.999796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.999796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.999796 (E_RNA) where: Base-Base interactions energy: -511.472 where: short stacking energy: -243.958 Base-Backbone interact. energy: 0.040 local terms energy: -332.568267 where: bonds (distance) C4'-P energy: -90.920 bonds (distance) P-C4' energy: -78.095 flat angles C4'-P-C4' energy: -76.415 flat angles P-C4'-P energy: -49.628 tors. eta vs tors. theta energy: -37.510 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: 9 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -696.811103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.811103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.811103 (E_RNA) where: Base-Base interactions energy: -381.322 where: short stacking energy: -190.118 Base-Backbone interact. energy: -1.859 local terms energy: -313.629491 where: bonds (distance) C4'-P energy: -86.059 bonds (distance) P-C4' energy: -89.536 flat angles C4'-P-C4' energy: -82.145 flat angles P-C4'-P energy: -37.137 tors. eta vs tors. theta energy: -18.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -447.122828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.122828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.122828 (E_RNA) where: Base-Base interactions energy: -188.749 where: short stacking energy: -125.993 Base-Backbone interact. energy: -2.412 local terms energy: -255.961658 where: bonds (distance) C4'-P energy: -84.028 bonds (distance) P-C4' energy: -75.132 flat angles C4'-P-C4' energy: -55.749 flat angles P-C4'-P energy: -48.236 tors. eta vs tors. theta energy: 7.183 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: 6 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1747.653571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.653571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.653571 (E_RNA) where: Base-Base interactions energy: -1219.778 where: short stacking energy: -549.459 Base-Backbone interact. energy: -1.193 local terms energy: -526.681943 where: bonds (distance) C4'-P energy: -75.858 bonds (distance) P-C4' energy: -86.286 flat angles C4'-P-C4' energy: -107.929 flat angles P-C4'-P energy: -87.787 tors. eta vs tors. theta energy: -168.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1637.989136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.989136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.989136 (E_RNA) where: Base-Base interactions energy: -1127.094 where: short stacking energy: -485.077 Base-Backbone interact. energy: -5.024 local terms energy: -505.870599 where: bonds (distance) C4'-P energy: -86.323 bonds (distance) P-C4' energy: -92.392 flat angles C4'-P-C4' energy: -116.979 flat angles P-C4'-P energy: -64.711 tors. eta vs tors. theta energy: -145.466 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: 10 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1574.479181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.479181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.479181 (E_RNA) where: Base-Base interactions energy: -1062.955 where: short stacking energy: -457.907 Base-Backbone interact. energy: -1.267 local terms energy: -510.257208 where: bonds (distance) C4'-P energy: -92.240 bonds (distance) P-C4' energy: -90.452 flat angles C4'-P-C4' energy: -117.530 flat angles P-C4'-P energy: -72.010 tors. eta vs tors. theta energy: -138.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1560.881476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.881476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.881476 (E_RNA) where: Base-Base interactions energy: -1058.144 where: short stacking energy: -446.968 Base-Backbone interact. energy: -3.231 local terms energy: -499.506269 where: bonds (distance) C4'-P energy: -81.609 bonds (distance) P-C4' energy: -105.146 flat angles C4'-P-C4' energy: -107.613 flat angles P-C4'-P energy: -68.399 tors. eta vs tors. theta energy: -136.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1321.977379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.977379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.977379 (E_RNA) where: Base-Base interactions energy: -869.084 where: short stacking energy: -366.390 Base-Backbone interact. energy: -2.853 local terms energy: -450.040250 where: bonds (distance) C4'-P energy: -98.613 bonds (distance) P-C4' energy: -90.919 flat angles C4'-P-C4' energy: -88.314 flat angles P-C4'-P energy: -81.668 tors. eta vs tors. theta energy: -90.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1265.334173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.334173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.334173 (E_RNA) where: Base-Base interactions energy: -834.640 where: short stacking energy: -358.918 Base-Backbone interact. energy: 2.421 local terms energy: -433.114809 where: bonds (distance) C4'-P energy: -92.535 bonds (distance) P-C4' energy: -96.757 flat angles C4'-P-C4' energy: -97.053 flat angles P-C4'-P energy: -58.913 tors. eta vs tors. theta energy: -87.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1196.289951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.289951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.289951 (E_RNA) where: Base-Base interactions energy: -801.421 where: short stacking energy: -355.733 Base-Backbone interact. energy: -2.251 local terms energy: -392.618235 where: bonds (distance) C4'-P energy: -76.516 bonds (distance) P-C4' energy: -81.139 flat angles C4'-P-C4' energy: -93.943 flat angles P-C4'-P energy: -56.392 tors. eta vs tors. theta energy: -84.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -871.107654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.107654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.107654 (E_RNA) where: Base-Base interactions energy: -536.225 where: short stacking energy: -250.469 Base-Backbone interact. energy: 4.847 local terms energy: -339.729681 where: bonds (distance) C4'-P energy: -83.765 bonds (distance) P-C4' energy: -75.120 flat angles C4'-P-C4' energy: -93.796 flat angles P-C4'-P energy: -54.971 tors. eta vs tors. theta energy: -32.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -721.675656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.675656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.675656 (E_RNA) where: Base-Base interactions energy: -424.866 where: short stacking energy: -205.744 Base-Backbone interact. energy: -1.823 local terms energy: -294.986468 where: bonds (distance) C4'-P energy: -83.891 bonds (distance) P-C4' energy: -76.140 flat angles C4'-P-C4' energy: -72.549 flat angles P-C4'-P energy: -47.251 tors. eta vs tors. theta energy: -15.156 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: 3 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -454.772588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.772588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.772588 (E_RNA) where: Base-Base interactions energy: -214.812 where: short stacking energy: -141.960 Base-Backbone interact. energy: 2.771 local terms energy: -242.731819 where: bonds (distance) C4'-P energy: -78.406 bonds (distance) P-C4' energy: -81.246 flat angles C4'-P-C4' energy: -61.365 flat angles P-C4'-P energy: -30.696 tors. eta vs tors. theta energy: 8.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1736.525260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.525260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.525260 (E_RNA) where: Base-Base interactions energy: -1179.680 where: short stacking energy: -522.916 Base-Backbone interact. energy: 1.399 local terms energy: -558.244711 where: bonds (distance) C4'-P energy: -94.975 bonds (distance) P-C4' energy: -98.345 flat angles C4'-P-C4' energy: -111.926 flat angles P-C4'-P energy: -92.829 tors. eta vs tors. theta energy: -160.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1648.339243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.339243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.339243 (E_RNA) where: Base-Base interactions energy: -1128.772 where: short stacking energy: -492.623 Base-Backbone interact. energy: -1.114 local terms energy: -518.452920 where: bonds (distance) C4'-P energy: -95.214 bonds (distance) P-C4' energy: -95.686 flat angles C4'-P-C4' energy: -106.903 flat angles P-C4'-P energy: -70.560 tors. eta vs tors. theta energy: -150.091 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: 3, replica: 8 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1580.801717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.801717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.801717 (E_RNA) where: Base-Base interactions energy: -1086.393 where: short stacking energy: -478.238 Base-Backbone interact. energy: 0.006 local terms energy: -494.414963 where: bonds (distance) C4'-P energy: -89.804 bonds (distance) P-C4' energy: -103.115 flat angles C4'-P-C4' energy: -96.952 flat angles P-C4'-P energy: -69.172 tors. eta vs tors. theta energy: -135.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1487.634088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.634088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.634088 (E_RNA) where: Base-Base interactions energy: -998.085 where: short stacking energy: -428.213 Base-Backbone interact. energy: -0.212 local terms energy: -489.337842 where: bonds (distance) C4'-P energy: -99.183 bonds (distance) P-C4' energy: -92.821 flat angles C4'-P-C4' energy: -101.366 flat angles P-C4'-P energy: -63.529 tors. eta vs tors. theta energy: -132.439 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: 276 Temperature: 1.100000 Total energy: -1351.199413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.199413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.199413 (E_RNA) where: Base-Base interactions energy: -917.816 where: short stacking energy: -367.683 Base-Backbone interact. energy: -3.343 local terms energy: -430.040859 where: bonds (distance) C4'-P energy: -79.806 bonds (distance) P-C4' energy: -95.091 flat angles C4'-P-C4' energy: -87.480 flat angles P-C4'-P energy: -70.405 tors. eta vs tors. theta energy: -97.259 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: 7 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1325.706567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.706567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.706567 (E_RNA) where: Base-Base interactions energy: -911.504 where: short stacking energy: -400.665 Base-Backbone interact. energy: -0.973 local terms energy: -413.229982 where: bonds (distance) C4'-P energy: -66.554 bonds (distance) P-C4' energy: -102.424 flat angles C4'-P-C4' energy: -84.138 flat angles P-C4'-P energy: -59.147 tors. eta vs tors. theta energy: -100.967 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: 5 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1127.656918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.656918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.656918 (E_RNA) where: Base-Base interactions energy: -745.922 where: short stacking energy: -340.085 Base-Backbone interact. energy: -2.322 local terms energy: -379.412963 where: bonds (distance) C4'-P energy: -90.303 bonds (distance) P-C4' energy: -85.143 flat angles C4'-P-C4' energy: -81.010 flat angles P-C4'-P energy: -55.163 tors. eta vs tors. theta energy: -67.794 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: 1 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -820.554454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.554454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.554454 (E_RNA) where: Base-Base interactions energy: -493.719 where: short stacking energy: -219.770 Base-Backbone interact. energy: -3.311 local terms energy: -323.524572 where: bonds (distance) C4'-P energy: -81.558 bonds (distance) P-C4' energy: -83.841 flat angles C4'-P-C4' energy: -87.667 flat angles P-C4'-P energy: -42.363 tors. eta vs tors. theta energy: -28.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -704.846915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.846915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.846915 (E_RNA) where: Base-Base interactions energy: -403.508 where: short stacking energy: -221.069 Base-Backbone interact. energy: -0.822 local terms energy: -300.516724 where: bonds (distance) C4'-P energy: -73.950 bonds (distance) P-C4' energy: -71.922 flat angles C4'-P-C4' energy: -62.487 flat angles P-C4'-P energy: -54.340 tors. eta vs tors. theta energy: -37.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -451.098326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.098326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.098326 (E_RNA) where: Base-Base interactions energy: -190.680 where: short stacking energy: -132.706 Base-Backbone interact. energy: 3.009 local terms energy: -263.427616 where: bonds (distance) C4'-P energy: -65.976 bonds (distance) P-C4' energy: -90.647 flat angles C4'-P-C4' energy: -74.914 flat angles P-C4'-P energy: -42.889 tors. eta vs tors. theta energy: 10.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1729.387951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.387951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.387951 (E_RNA) where: Base-Base interactions energy: -1177.235 where: short stacking energy: -550.966 Base-Backbone interact. energy: -1.776 local terms energy: -550.377115 where: bonds (distance) C4'-P energy: -94.673 bonds (distance) P-C4' energy: -102.034 flat angles C4'-P-C4' energy: -113.020 flat angles P-C4'-P energy: -82.560 tors. eta vs tors. theta energy: -158.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1680.822973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.822973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.822973 (E_RNA) where: Base-Base interactions energy: -1162.459 where: short stacking energy: -509.236 Base-Backbone interact. energy: 0.080 local terms energy: -518.444529 where: bonds (distance) C4'-P energy: -94.131 bonds (distance) P-C4' energy: -97.282 flat angles C4'-P-C4' energy: -102.762 flat angles P-C4'-P energy: -70.006 tors. eta vs tors. theta energy: -154.263 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: 8 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1567.276083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.276083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.276083 (E_RNA) where: Base-Base interactions energy: -1084.438 where: short stacking energy: -480.201 Base-Backbone interact. energy: 2.375 local terms energy: -485.213489 where: bonds (distance) C4'-P energy: -103.302 bonds (distance) P-C4' energy: -83.019 flat angles C4'-P-C4' energy: -99.769 flat angles P-C4'-P energy: -65.023 tors. eta vs tors. theta energy: -134.100 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: 10 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1500.032623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.032623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.032623 (E_RNA) where: Base-Base interactions energy: -1030.524 where: short stacking energy: -416.360 Base-Backbone interact. energy: -1.340 local terms energy: -468.169304 where: bonds (distance) C4'-P energy: -83.922 bonds (distance) P-C4' energy: -87.718 flat angles C4'-P-C4' energy: -108.611 flat angles P-C4'-P energy: -64.457 tors. eta vs tors. theta energy: -123.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1333.163168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.163168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.163168 (E_RNA) where: Base-Base interactions energy: -926.781 where: short stacking energy: -370.365 Base-Backbone interact. energy: -3.608 local terms energy: -402.774096 where: bonds (distance) C4'-P energy: -70.827 bonds (distance) P-C4' energy: -78.576 flat angles C4'-P-C4' energy: -95.509 flat angles P-C4'-P energy: -60.949 tors. eta vs tors. theta energy: -96.913 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: 7 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1255.795396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.795396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.795396 (E_RNA) where: Base-Base interactions energy: -844.050 where: short stacking energy: -380.666 Base-Backbone interact. energy: 1.106 local terms energy: -412.852254 where: bonds (distance) C4'-P energy: -71.667 bonds (distance) P-C4' energy: -89.653 flat angles C4'-P-C4' energy: -94.142 flat angles P-C4'-P energy: -58.350 tors. eta vs tors. theta energy: -99.040 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: 277 Temperature: 1.200000 Total energy: -1110.993131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.993131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.993131 (E_RNA) where: Base-Base interactions energy: -729.130 where: short stacking energy: -328.505 Base-Backbone interact. energy: -3.080 local terms energy: -378.782989 where: bonds (distance) C4'-P energy: -72.898 bonds (distance) P-C4' energy: -100.283 flat angles C4'-P-C4' energy: -89.517 flat angles P-C4'-P energy: -43.662 tors. eta vs tors. theta energy: -72.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -792.781814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.781814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.781814 (E_RNA) where: Base-Base interactions energy: -472.713 where: short stacking energy: -228.447 Base-Backbone interact. energy: -1.638 local terms energy: -318.430528 where: bonds (distance) C4'-P energy: -73.281 bonds (distance) P-C4' energy: -75.018 flat angles C4'-P-C4' energy: -92.994 flat angles P-C4'-P energy: -53.839 tors. eta vs tors. theta energy: -23.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -730.338791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.338791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.338791 (E_RNA) where: Base-Base interactions energy: -418.311 where: short stacking energy: -201.478 Base-Backbone interact. energy: 3.759 local terms energy: -315.785950 where: bonds (distance) C4'-P energy: -75.359 bonds (distance) P-C4' energy: -75.488 flat angles C4'-P-C4' energy: -72.696 flat angles P-C4'-P energy: -64.714 tors. eta vs tors. theta energy: -27.529 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: 3 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -451.636472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.636472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.636472 (E_RNA) where: Base-Base interactions energy: -173.970 where: short stacking energy: -121.761 Base-Backbone interact. energy: 1.052 local terms energy: -278.718595 where: bonds (distance) C4'-P energy: -70.386 bonds (distance) P-C4' energy: -81.268 flat angles C4'-P-C4' energy: -86.608 flat angles P-C4'-P energy: -53.585 tors. eta vs tors. theta energy: 13.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1744.414950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.414950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.414950 (E_RNA) where: Base-Base interactions energy: -1190.637 where: short stacking energy: -544.929 Base-Backbone interact. energy: -2.304 local terms energy: -551.474663 where: bonds (distance) C4'-P energy: -102.166 bonds (distance) P-C4' energy: -95.160 flat angles C4'-P-C4' energy: -112.320 flat angles P-C4'-P energy: -82.603 tors. eta vs tors. theta energy: -159.225 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: 2, replica: 2 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1662.994169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.994169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.994169 (E_RNA) where: Base-Base interactions energy: -1157.148 where: short stacking energy: -498.014 Base-Backbone interact. energy: -1.823 local terms energy: -504.022739 where: bonds (distance) C4'-P energy: -90.282 bonds (distance) P-C4' energy: -99.796 flat angles C4'-P-C4' energy: -100.527 flat angles P-C4'-P energy: -65.653 tors. eta vs tors. theta energy: -147.765 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: 8 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1589.790027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.790027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.790027 (E_RNA) where: Base-Base interactions energy: -1091.918 where: short stacking energy: -473.040 Base-Backbone interact. energy: 0.848 local terms energy: -498.720064 where: bonds (distance) C4'-P energy: -90.645 bonds (distance) P-C4' energy: -96.420 flat angles C4'-P-C4' energy: -105.000 flat angles P-C4'-P energy: -72.783 tors. eta vs tors. theta energy: -133.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1485.175741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.175741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.175741 (E_RNA) where: Base-Base interactions energy: -1015.916 where: short stacking energy: -419.835 Base-Backbone interact. energy: -1.367 local terms energy: -467.892878 where: bonds (distance) C4'-P energy: -83.792 bonds (distance) P-C4' energy: -93.996 flat angles C4'-P-C4' energy: -94.932 flat angles P-C4'-P energy: -68.171 tors. eta vs tors. theta energy: -127.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -1362.959897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.959897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.959897 (E_RNA) where: Base-Base interactions energy: -952.515 where: short stacking energy: -377.574 Base-Backbone interact. energy: 0.271 local terms energy: -410.715772 where: bonds (distance) C4'-P energy: -85.611 bonds (distance) P-C4' energy: -82.349 flat angles C4'-P-C4' energy: -90.111 flat angles P-C4'-P energy: -53.611 tors. eta vs tors. theta energy: -99.034 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: 6, replica: 7 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1263.235221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.235221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.235221 (E_RNA) where: Base-Base interactions energy: -845.788 where: short stacking energy: -341.100 Base-Backbone interact. energy: -2.223 local terms energy: -415.223909 where: bonds (distance) C4'-P energy: -83.536 bonds (distance) P-C4' energy: -87.640 flat angles C4'-P-C4' energy: -85.604 flat angles P-C4'-P energy: -68.291 tors. eta vs tors. theta energy: -90.153 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: 5 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1125.187284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.187284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.187284 (E_RNA) where: Base-Base interactions energy: -735.519 where: short stacking energy: -311.228 Base-Backbone interact. energy: 4.747 local terms energy: -394.415581 where: bonds (distance) C4'-P energy: -81.831 bonds (distance) P-C4' energy: -92.085 flat angles C4'-P-C4' energy: -83.944 flat angles P-C4'-P energy: -57.024 tors. eta vs tors. theta energy: -79.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -847.332390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.332390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.332390 (E_RNA) where: Base-Base interactions energy: -517.214 where: short stacking energy: -239.197 Base-Backbone interact. energy: -1.916 local terms energy: -328.202779 where: bonds (distance) C4'-P energy: -73.898 bonds (distance) P-C4' energy: -82.109 flat angles C4'-P-C4' energy: -82.596 flat angles P-C4'-P energy: -62.289 tors. eta vs tors. theta energy: -27.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -726.165330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.165330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.165330 (E_RNA) where: Base-Base interactions energy: -411.891 where: short stacking energy: -219.522 Base-Backbone interact. energy: -0.903 local terms energy: -313.370918 where: bonds (distance) C4'-P energy: -82.145 bonds (distance) P-C4' energy: -83.823 flat angles C4'-P-C4' energy: -79.757 flat angles P-C4'-P energy: -45.702 tors. eta vs tors. theta energy: -21.944 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: 10, replica: 3 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -384.441298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.441298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.441298 (E_RNA) where: Base-Base interactions energy: -121.247 where: short stacking energy: -109.423 Base-Backbone interact. energy: -3.116 local terms energy: -260.078541 where: bonds (distance) C4'-P energy: -86.639 bonds (distance) P-C4' energy: -74.314 flat angles C4'-P-C4' energy: -59.337 flat angles P-C4'-P energy: -41.979 tors. eta vs tors. theta energy: 2.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1738.743937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.743937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.743937 (E_RNA) where: Base-Base interactions energy: -1187.837 where: short stacking energy: -537.179 Base-Backbone interact. energy: -0.452 local terms energy: -550.454802 where: bonds (distance) C4'-P energy: -97.980 bonds (distance) P-C4' energy: -101.792 flat angles C4'-P-C4' energy: -112.115 flat angles P-C4'-P energy: -76.232 tors. eta vs tors. theta energy: -162.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1688.485879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.485879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.485879 (E_RNA) where: Base-Base interactions energy: -1150.849 where: short stacking energy: -506.253 Base-Backbone interact. energy: -1.207 local terms energy: -536.429802 where: bonds (distance) C4'-P energy: -100.137 bonds (distance) P-C4' energy: -99.031 flat angles C4'-P-C4' energy: -108.732 flat angles P-C4'-P energy: -72.117 tors. eta vs tors. theta energy: -156.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1578.880097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.880097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.880097 (E_RNA) where: Base-Base interactions energy: -1097.151 where: short stacking energy: -476.813 Base-Backbone interact. energy: -0.904 local terms energy: -480.825386 where: bonds (distance) C4'-P energy: -83.292 bonds (distance) P-C4' energy: -82.244 flat angles C4'-P-C4' energy: -106.360 flat angles P-C4'-P energy: -83.467 tors. eta vs tors. theta energy: -125.462 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: 10 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1502.104835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.104835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.104835 (E_RNA) where: Base-Base interactions energy: -1032.483 where: short stacking energy: -421.220 Base-Backbone interact. energy: -0.935 local terms energy: -468.686940 where: bonds (distance) C4'-P energy: -89.726 bonds (distance) P-C4' energy: -97.240 flat angles C4'-P-C4' energy: -98.015 flat angles P-C4'-P energy: -69.151 tors. eta vs tors. theta energy: -114.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1333.278953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.278953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.278953 (E_RNA) where: Base-Base interactions energy: -919.327 where: short stacking energy: -366.250 Base-Backbone interact. energy: 2.058 local terms energy: -416.010209 where: bonds (distance) C4'-P energy: -69.034 bonds (distance) P-C4' energy: -96.455 flat angles C4'-P-C4' energy: -108.107 flat angles P-C4'-P energy: -40.440 tors. eta vs tors. theta energy: -101.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1273.772388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.772388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.772388 (E_RNA) where: Base-Base interactions energy: -853.616 where: short stacking energy: -359.745 Base-Backbone interact. energy: 2.742 local terms energy: -422.897907 where: bonds (distance) C4'-P energy: -75.797 bonds (distance) P-C4' energy: -95.130 flat angles C4'-P-C4' energy: -96.090 flat angles P-C4'-P energy: -66.204 tors. eta vs tors. theta energy: -89.677 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: 5 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1075.738201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.738201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.738201 (E_RNA) where: Base-Base interactions energy: -717.076 where: short stacking energy: -309.457 Base-Backbone interact. energy: -0.116 local terms energy: -358.546433 where: bonds (distance) C4'-P energy: -85.123 bonds (distance) P-C4' energy: -69.067 flat angles C4'-P-C4' energy: -86.799 flat angles P-C4'-P energy: -58.291 tors. eta vs tors. theta energy: -59.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -876.554431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.554431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.554431 (E_RNA) where: Base-Base interactions energy: -522.521 where: short stacking energy: -234.629 Base-Backbone interact. energy: -1.223 local terms energy: -352.810335 where: bonds (distance) C4'-P energy: -79.714 bonds (distance) P-C4' energy: -85.551 flat angles C4'-P-C4' energy: -85.590 flat angles P-C4'-P energy: -61.888 tors. eta vs tors. theta energy: -40.067 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: 9 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -768.654110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.654110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.654110 (E_RNA) where: Base-Base interactions energy: -441.893 where: short stacking energy: -228.720 Base-Backbone interact. energy: -1.585 local terms energy: -325.175875 where: bonds (distance) C4'-P energy: -88.000 bonds (distance) P-C4' energy: -91.303 flat angles C4'-P-C4' energy: -75.401 flat angles P-C4'-P energy: -36.775 tors. eta vs tors. theta energy: -33.696 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: 3 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -419.102519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.102519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.102519 (E_RNA) where: Base-Base interactions energy: -142.548 where: short stacking energy: -121.832 Base-Backbone interact. energy: -0.737 local terms energy: -275.817537 where: bonds (distance) C4'-P energy: -76.314 bonds (distance) P-C4' energy: -96.515 flat angles C4'-P-C4' energy: -65.387 flat angles P-C4'-P energy: -45.972 tors. eta vs tors. theta energy: 8.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1699.193079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.193079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.193079 (E_RNA) where: Base-Base interactions energy: -1173.526 where: short stacking energy: -533.180 Base-Backbone interact. energy: 0.214 local terms energy: -525.880867 where: bonds (distance) C4'-P energy: -90.803 bonds (distance) P-C4' energy: -95.928 flat angles C4'-P-C4' energy: -113.130 flat angles P-C4'-P energy: -70.282 tors. eta vs tors. theta energy: -155.739 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: 6 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1658.945463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.945463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.945463 (E_RNA) where: Base-Base interactions energy: -1129.773 where: short stacking energy: -514.068 Base-Backbone interact. energy: -0.486 local terms energy: -528.686302 where: bonds (distance) C4'-P energy: -101.977 bonds (distance) P-C4' energy: -95.567 flat angles C4'-P-C4' energy: -112.162 flat angles P-C4'-P energy: -63.779 tors. eta vs tors. theta energy: -155.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1602.935998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.935998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.935998 (E_RNA) where: Base-Base interactions energy: -1092.241 where: short stacking energy: -480.499 Base-Backbone interact. energy: -0.663 local terms energy: -510.032062 where: bonds (distance) C4'-P energy: -82.698 bonds (distance) P-C4' energy: -97.190 flat angles C4'-P-C4' energy: -111.606 flat angles P-C4'-P energy: -76.570 tors. eta vs tors. theta energy: -141.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1484.501128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.501128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.501128 (E_RNA) where: Base-Base interactions energy: -1054.040 where: short stacking energy: -435.401 Base-Backbone interact. energy: -1.615 local terms energy: -428.846834 where: bonds (distance) C4'-P energy: -83.127 bonds (distance) P-C4' energy: -79.520 flat angles C4'-P-C4' energy: -100.097 flat angles P-C4'-P energy: -50.544 tors. eta vs tors. theta energy: -115.558 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: 5, replica: 4 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1348.488255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.488255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.488255 (E_RNA) where: Base-Base interactions energy: -932.784 where: short stacking energy: -375.554 Base-Backbone interact. energy: 2.920 local terms energy: -418.623654 where: bonds (distance) C4'-P energy: -78.302 bonds (distance) P-C4' energy: -89.632 flat angles C4'-P-C4' energy: -90.945 flat angles P-C4'-P energy: -60.034 tors. eta vs tors. theta energy: -99.711 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: 7 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1262.795622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.795622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.795622 (E_RNA) where: Base-Base interactions energy: -849.974 where: short stacking energy: -369.325 Base-Backbone interact. energy: 0.934 local terms energy: -413.756233 where: bonds (distance) C4'-P energy: -82.622 bonds (distance) P-C4' energy: -84.467 flat angles C4'-P-C4' energy: -98.493 flat angles P-C4'-P energy: -58.846 tors. eta vs tors. theta energy: -89.329 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: 7, replica: 5 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1162.218620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.218620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.218620 (E_RNA) where: Base-Base interactions energy: -772.319 where: short stacking energy: -307.357 Base-Backbone interact. energy: -1.302 local terms energy: -388.597868 where: bonds (distance) C4'-P energy: -87.165 bonds (distance) P-C4' energy: -86.951 flat angles C4'-P-C4' energy: -91.338 flat angles P-C4'-P energy: -54.372 tors. eta vs tors. theta energy: -68.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -877.394991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.394991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.394991 (E_RNA) where: Base-Base interactions energy: -527.941 where: short stacking energy: -225.811 Base-Backbone interact. energy: 3.177 local terms energy: -352.631298 where: bonds (distance) C4'-P energy: -90.564 bonds (distance) P-C4' energy: -95.082 flat angles C4'-P-C4' energy: -82.534 flat angles P-C4'-P energy: -49.444 tors. eta vs tors. theta energy: -35.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -722.579859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.579859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.579859 (E_RNA) where: Base-Base interactions energy: -394.150 where: short stacking energy: -193.772 Base-Backbone interact. energy: -0.203 local terms energy: -328.227670 where: bonds (distance) C4'-P energy: -92.980 bonds (distance) P-C4' energy: -81.974 flat angles C4'-P-C4' energy: -85.484 flat angles P-C4'-P energy: -35.856 tors. eta vs tors. theta energy: -31.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -374.499562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.499562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.499562 (E_RNA) where: Base-Base interactions energy: -129.383 where: short stacking energy: -92.360 Base-Backbone interact. energy: 3.578 local terms energy: -248.693796 where: bonds (distance) C4'-P energy: -76.369 bonds (distance) P-C4' energy: -81.517 flat angles C4'-P-C4' energy: -74.957 flat angles P-C4'-P energy: -46.030 tors. eta vs tors. theta energy: 30.180 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: 2 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1709.530708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.530708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.530708 (E_RNA) where: Base-Base interactions energy: -1197.988 where: short stacking energy: -509.146 Base-Backbone interact. energy: 1.702 local terms energy: -513.244963 where: bonds (distance) C4'-P energy: -99.545 bonds (distance) P-C4' energy: -96.286 flat angles C4'-P-C4' energy: -101.682 flat angles P-C4'-P energy: -63.526 tors. eta vs tors. theta energy: -152.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1684.156475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.156475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.156475 (E_RNA) where: Base-Base interactions energy: -1150.322 where: short stacking energy: -514.066 Base-Backbone interact. energy: -1.409 local terms energy: -532.426024 where: bonds (distance) C4'-P energy: -89.800 bonds (distance) P-C4' energy: -95.336 flat angles C4'-P-C4' energy: -116.753 flat angles P-C4'-P energy: -76.980 tors. eta vs tors. theta energy: -153.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1583.507624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.507624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.507624 (E_RNA) where: Base-Base interactions energy: -1105.755 where: short stacking energy: -474.650 Base-Backbone interact. energy: 4.515 local terms energy: -482.266869 where: bonds (distance) C4'-P energy: -87.354 bonds (distance) P-C4' energy: -77.475 flat angles C4'-P-C4' energy: -102.262 flat angles P-C4'-P energy: -77.539 tors. eta vs tors. theta energy: -137.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1522.192854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.192854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.192854 (E_RNA) where: Base-Base interactions energy: -1041.376 where: short stacking energy: -451.060 Base-Backbone interact. energy: -2.471 local terms energy: -478.346047 where: bonds (distance) C4'-P energy: -86.893 bonds (distance) P-C4' energy: -81.732 flat angles C4'-P-C4' energy: -105.636 flat angles P-C4'-P energy: -70.957 tors. eta vs tors. theta energy: -133.129 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: 281 Temperature: 1.100000 Total energy: -1344.341772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.341772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.341772 (E_RNA) where: Base-Base interactions energy: -914.559 where: short stacking energy: -375.337 Base-Backbone interact. energy: 1.519 local terms energy: -431.301791 where: bonds (distance) C4'-P energy: -82.695 bonds (distance) P-C4' energy: -89.679 flat angles C4'-P-C4' energy: -96.824 flat angles P-C4'-P energy: -60.926 tors. eta vs tors. theta energy: -101.178 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: 6, replica: 7 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1284.529190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.529190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.529190 (E_RNA) where: Base-Base interactions energy: -852.056 where: short stacking energy: -384.664 Base-Backbone interact. energy: -1.116 local terms energy: -431.356798 where: bonds (distance) C4'-P energy: -84.358 bonds (distance) P-C4' energy: -89.491 flat angles C4'-P-C4' energy: -93.737 flat angles P-C4'-P energy: -70.813 tors. eta vs tors. theta energy: -92.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1166.935123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.935123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.935123 (E_RNA) where: Base-Base interactions energy: -788.877 where: short stacking energy: -328.752 Base-Backbone interact. energy: -1.122 local terms energy: -376.936215 where: bonds (distance) C4'-P energy: -76.416 bonds (distance) P-C4' energy: -81.900 flat angles C4'-P-C4' energy: -87.908 flat angles P-C4'-P energy: -49.615 tors. eta vs tors. theta energy: -81.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -736.163018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.163018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.163018 (E_RNA) where: Base-Base interactions energy: -428.108 where: short stacking energy: -234.088 Base-Backbone interact. energy: 7.854 local terms energy: -315.909971 where: bonds (distance) C4'-P energy: -78.396 bonds (distance) P-C4' energy: -72.226 flat angles C4'-P-C4' energy: -76.525 flat angles P-C4'-P energy: -43.095 tors. eta vs tors. theta energy: -45.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -767.344363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.344363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.344363 (E_RNA) where: Base-Base interactions energy: -430.211 where: short stacking energy: -198.099 Base-Backbone interact. energy: 1.605 local terms energy: -338.738827 where: bonds (distance) C4'-P energy: -85.381 bonds (distance) P-C4' energy: -98.215 flat angles C4'-P-C4' energy: -63.439 flat angles P-C4'-P energy: -42.756 tors. eta vs tors. theta energy: -48.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -392.590577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.590577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.590577 (E_RNA) where: Base-Base interactions energy: -149.079 where: short stacking energy: -110.881 Base-Backbone interact. energy: -0.943 local terms energy: -242.568881 where: bonds (distance) C4'-P energy: -71.348 bonds (distance) P-C4' energy: -83.900 flat angles C4'-P-C4' energy: -66.082 flat angles P-C4'-P energy: -38.362 tors. eta vs tors. theta energy: 17.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1702.901084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.901084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.901084 (E_RNA) where: Base-Base interactions energy: -1189.224 where: short stacking energy: -503.743 Base-Backbone interact. energy: -0.686 local terms energy: -512.991112 where: bonds (distance) C4'-P energy: -102.426 bonds (distance) P-C4' energy: -90.095 flat angles C4'-P-C4' energy: -108.386 flat angles P-C4'-P energy: -65.979 tors. eta vs tors. theta energy: -146.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1676.236554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.236554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.236554 (E_RNA) where: Base-Base interactions energy: -1135.868 where: short stacking energy: -500.587 Base-Backbone interact. energy: -2.335 local terms energy: -538.033290 where: bonds (distance) C4'-P energy: -87.248 bonds (distance) P-C4' energy: -95.246 flat angles C4'-P-C4' energy: -114.386 flat angles P-C4'-P energy: -86.541 tors. eta vs tors. theta energy: -154.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1603.985465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.985465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.985465 (E_RNA) where: Base-Base interactions energy: -1113.466 where: short stacking energy: -487.942 Base-Backbone interact. energy: 0.277 local terms energy: -490.796183 where: bonds (distance) C4'-P energy: -93.230 bonds (distance) P-C4' energy: -75.836 flat angles C4'-P-C4' energy: -114.054 flat angles P-C4'-P energy: -74.066 tors. eta vs tors. theta energy: -133.611 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: 10 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1518.397486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.397486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.397486 (E_RNA) where: Base-Base interactions energy: -1019.303 where: short stacking energy: -461.142 Base-Backbone interact. energy: -2.834 local terms energy: -496.260704 where: bonds (distance) C4'-P energy: -79.827 bonds (distance) P-C4' energy: -96.344 flat angles C4'-P-C4' energy: -113.811 flat angles P-C4'-P energy: -67.443 tors. eta vs tors. theta energy: -138.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -1356.880658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.880658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.880658 (E_RNA) where: Base-Base interactions energy: -920.050 where: short stacking energy: -408.409 Base-Backbone interact. energy: -3.854 local terms energy: -432.976473 where: bonds (distance) C4'-P energy: -87.780 bonds (distance) P-C4' energy: -86.506 flat angles C4'-P-C4' energy: -99.230 flat angles P-C4'-P energy: -44.412 tors. eta vs tors. theta energy: -115.049 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: 4 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1294.061216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.061216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.061216 (E_RNA) where: Base-Base interactions energy: -911.398 where: short stacking energy: -352.465 Base-Backbone interact. energy: -1.228 local terms energy: -381.435314 where: bonds (distance) C4'-P energy: -73.711 bonds (distance) P-C4' energy: -75.648 flat angles C4'-P-C4' energy: -83.941 flat angles P-C4'-P energy: -62.652 tors. eta vs tors. theta energy: -85.483 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: 5 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1192.678813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.678813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.678813 (E_RNA) where: Base-Base interactions energy: -788.611 where: short stacking energy: -347.146 Base-Backbone interact. energy: -1.671 local terms energy: -402.397092 where: bonds (distance) C4'-P energy: -80.503 bonds (distance) P-C4' energy: -85.833 flat angles C4'-P-C4' energy: -88.934 flat angles P-C4'-P energy: -62.383 tors. eta vs tors. theta energy: -84.744 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: 9 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -794.693582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.693582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.693582 (E_RNA) where: Base-Base interactions energy: -482.255 where: short stacking energy: -253.951 Base-Backbone interact. energy: 1.422 local terms energy: -313.860427 where: bonds (distance) C4'-P energy: -68.119 bonds (distance) P-C4' energy: -81.552 flat angles C4'-P-C4' energy: -81.139 flat angles P-C4'-P energy: -37.633 tors. eta vs tors. theta energy: -45.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -762.717181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.717181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.717181 (E_RNA) where: Base-Base interactions energy: -475.486 where: short stacking energy: -223.647 Base-Backbone interact. energy: 1.467 local terms energy: -288.697478 where: bonds (distance) C4'-P energy: -79.262 bonds (distance) P-C4' energy: -86.360 flat angles C4'-P-C4' energy: -69.610 flat angles P-C4'-P energy: -30.916 tors. eta vs tors. theta energy: -22.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -451.136857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.136857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.136857 (E_RNA) where: Base-Base interactions energy: -218.405 where: short stacking energy: -124.259 Base-Backbone interact. energy: 3.403 local terms energy: -236.135183 where: bonds (distance) C4'-P energy: -78.132 bonds (distance) P-C4' energy: -74.466 flat angles C4'-P-C4' energy: -60.922 flat angles P-C4'-P energy: -34.357 tors. eta vs tors. theta energy: 11.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1727.806557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.806557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.806557 (E_RNA) where: Base-Base interactions energy: -1173.031 where: short stacking energy: -513.498 Base-Backbone interact. energy: -2.766 local terms energy: -552.009449 where: bonds (distance) C4'-P energy: -99.598 bonds (distance) P-C4' energy: -104.836 flat angles C4'-P-C4' energy: -109.886 flat angles P-C4'-P energy: -82.318 tors. eta vs tors. theta energy: -155.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1694.251670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.251670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.251670 (E_RNA) where: Base-Base interactions energy: -1166.573 where: short stacking energy: -531.619 Base-Backbone interact. energy: -0.522 local terms energy: -527.156603 where: bonds (distance) C4'-P energy: -84.168 bonds (distance) P-C4' energy: -98.091 flat angles C4'-P-C4' energy: -118.384 flat angles P-C4'-P energy: -67.072 tors. eta vs tors. theta energy: -159.442 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: 3, replica: 8 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1598.419050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.419050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.419050 (E_RNA) where: Base-Base interactions energy: -1090.578 where: short stacking energy: -477.719 Base-Backbone interact. energy: -0.814 local terms energy: -507.026566 where: bonds (distance) C4'-P energy: -87.517 bonds (distance) P-C4' energy: -93.806 flat angles C4'-P-C4' energy: -101.099 flat angles P-C4'-P energy: -71.476 tors. eta vs tors. theta energy: -153.128 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: 10 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1515.584874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.584874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.584874 (E_RNA) where: Base-Base interactions energy: -1047.336 where: short stacking energy: -427.485 Base-Backbone interact. energy: -3.155 local terms energy: -465.093160 where: bonds (distance) C4'-P energy: -85.833 bonds (distance) P-C4' energy: -89.872 flat angles C4'-P-C4' energy: -101.847 flat angles P-C4'-P energy: -61.588 tors. eta vs tors. theta energy: -125.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1363.587338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.587338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.587338 (E_RNA) where: Base-Base interactions energy: -924.063 where: short stacking energy: -424.027 Base-Backbone interact. energy: 0.969 local terms energy: -440.492975 where: bonds (distance) C4'-P energy: -93.266 bonds (distance) P-C4' energy: -75.777 flat angles C4'-P-C4' energy: -97.006 flat angles P-C4'-P energy: -49.315 tors. eta vs tors. theta energy: -125.130 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: 4 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1275.220819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.220819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.220819 (E_RNA) where: Base-Base interactions energy: -879.363 where: short stacking energy: -341.095 Base-Backbone interact. energy: -2.768 local terms energy: -393.090311 where: bonds (distance) C4'-P energy: -87.155 bonds (distance) P-C4' energy: -82.377 flat angles C4'-P-C4' energy: -86.580 flat angles P-C4'-P energy: -54.073 tors. eta vs tors. theta energy: -82.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1211.895983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.895983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.895983 (E_RNA) where: Base-Base interactions energy: -824.289 where: short stacking energy: -346.696 Base-Backbone interact. energy: 2.972 local terms energy: -390.579089 where: bonds (distance) C4'-P energy: -85.754 bonds (distance) P-C4' energy: -70.345 flat angles C4'-P-C4' energy: -99.814 flat angles P-C4'-P energy: -51.511 tors. eta vs tors. theta energy: -83.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -848.594771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.594771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.594771 (E_RNA) where: Base-Base interactions energy: -499.347 where: short stacking energy: -249.172 Base-Backbone interact. energy: -0.500 local terms energy: -348.747685 where: bonds (distance) C4'-P energy: -87.424 bonds (distance) P-C4' energy: -89.127 flat angles C4'-P-C4' energy: -79.989 flat angles P-C4'-P energy: -56.334 tors. eta vs tors. theta energy: -35.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -728.457482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.457482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.457482 (E_RNA) where: Base-Base interactions energy: -465.117 where: short stacking energy: -248.657 Base-Backbone interact. energy: -1.830 local terms energy: -261.509762 where: bonds (distance) C4'-P energy: -67.853 bonds (distance) P-C4' energy: -71.422 flat angles C4'-P-C4' energy: -59.055 flat angles P-C4'-P energy: -32.011 tors. eta vs tors. theta energy: -31.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -376.477205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.477205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.477205 (E_RNA) where: Base-Base interactions energy: -122.452 where: short stacking energy: -94.807 Base-Backbone interact. energy: -0.129 local terms energy: -253.896288 where: bonds (distance) C4'-P energy: -79.919 bonds (distance) P-C4' energy: -88.479 flat angles C4'-P-C4' energy: -71.855 flat angles P-C4'-P energy: -39.950 tors. eta vs tors. theta energy: 26.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1716.925795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.925795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.925795 (E_RNA) where: Base-Base interactions energy: -1169.943 where: short stacking energy: -515.696 Base-Backbone interact. energy: -0.758 local terms energy: -546.224707 where: bonds (distance) C4'-P energy: -95.360 bonds (distance) P-C4' energy: -95.016 flat angles C4'-P-C4' energy: -113.281 flat angles P-C4'-P energy: -82.438 tors. eta vs tors. theta energy: -160.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1675.938227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.938227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.938227 (E_RNA) where: Base-Base interactions energy: -1146.885 where: short stacking energy: -482.050 Base-Backbone interact. energy: -0.037 local terms energy: -529.016206 where: bonds (distance) C4'-P energy: -107.288 bonds (distance) P-C4' energy: -102.715 flat angles C4'-P-C4' energy: -101.864 flat angles P-C4'-P energy: -67.653 tors. eta vs tors. theta energy: -149.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1625.042505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.042505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.042505 (E_RNA) where: Base-Base interactions energy: -1107.949 where: short stacking energy: -472.173 Base-Backbone interact. energy: -1.023 local terms energy: -516.069975 where: bonds (distance) C4'-P energy: -89.748 bonds (distance) P-C4' energy: -101.037 flat angles C4'-P-C4' energy: -104.946 flat angles P-C4'-P energy: -70.286 tors. eta vs tors. theta energy: -150.054 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: 10 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1508.551531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.551531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.551531 (E_RNA) where: Base-Base interactions energy: -1027.184 where: short stacking energy: -422.990 Base-Backbone interact. energy: -2.505 local terms energy: -478.862640 where: bonds (distance) C4'-P energy: -92.388 bonds (distance) P-C4' energy: -91.871 flat angles C4'-P-C4' energy: -107.238 flat angles P-C4'-P energy: -69.571 tors. eta vs tors. theta energy: -117.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -1333.031456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.031456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.031456 (E_RNA) where: Base-Base interactions energy: -890.999 where: short stacking energy: -399.095 Base-Backbone interact. energy: -2.947 local terms energy: -439.085879 where: bonds (distance) C4'-P energy: -80.591 bonds (distance) P-C4' energy: -90.393 flat angles C4'-P-C4' energy: -91.617 flat angles P-C4'-P energy: -64.534 tors. eta vs tors. theta energy: -111.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1340.844375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.844375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.844375 (E_RNA) where: Base-Base interactions energy: -909.613 where: short stacking energy: -376.584 Base-Backbone interact. energy: -0.361 local terms energy: -430.870503 where: bonds (distance) C4'-P energy: -76.886 bonds (distance) P-C4' energy: -82.685 flat angles C4'-P-C4' energy: -105.704 flat angles P-C4'-P energy: -69.296 tors. eta vs tors. theta energy: -96.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1187.837637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.837637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.837637 (E_RNA) where: Base-Base interactions energy: -797.979 where: short stacking energy: -369.084 Base-Backbone interact. energy: 1.811 local terms energy: -391.669177 where: bonds (distance) C4'-P energy: -73.886 bonds (distance) P-C4' energy: -87.194 flat angles C4'-P-C4' energy: -93.166 flat angles P-C4'-P energy: -52.885 tors. eta vs tors. theta energy: -84.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -823.764742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.764742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.764742 (E_RNA) where: Base-Base interactions energy: -507.232 where: short stacking energy: -253.175 Base-Backbone interact. energy: -1.570 local terms energy: -314.963525 where: bonds (distance) C4'-P energy: -72.437 bonds (distance) P-C4' energy: -88.276 flat angles C4'-P-C4' energy: -78.313 flat angles P-C4'-P energy: -34.517 tors. eta vs tors. theta energy: -41.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -766.491382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.491382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.491382 (E_RNA) where: Base-Base interactions energy: -454.756 where: short stacking energy: -210.006 Base-Backbone interact. energy: -1.945 local terms energy: -309.790836 where: bonds (distance) C4'-P energy: -87.104 bonds (distance) P-C4' energy: -82.552 flat angles C4'-P-C4' energy: -68.060 flat angles P-C4'-P energy: -52.652 tors. eta vs tors. theta energy: -19.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -420.766346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.766346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.766346 (E_RNA) where: Base-Base interactions energy: -155.904 where: short stacking energy: -127.309 Base-Backbone interact. energy: 3.215 local terms energy: -268.077608 where: bonds (distance) C4'-P energy: -86.456 bonds (distance) P-C4' energy: -84.931 flat angles C4'-P-C4' energy: -65.336 flat angles P-C4'-P energy: -34.560 tors. eta vs tors. theta energy: 3.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1724.510039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.510039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.510039 (E_RNA) where: Base-Base interactions energy: -1200.193 where: short stacking energy: -545.185 Base-Backbone interact. energy: -1.737 local terms energy: -522.579768 where: bonds (distance) C4'-P energy: -97.532 bonds (distance) P-C4' energy: -83.641 flat angles C4'-P-C4' energy: -116.317 flat angles P-C4'-P energy: -67.100 tors. eta vs tors. theta energy: -157.990 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: 2 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1683.279652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.279652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.279652 (E_RNA) where: Base-Base interactions energy: -1154.250 where: short stacking energy: -511.940 Base-Backbone interact. energy: 0.555 local terms energy: -529.584585 where: bonds (distance) C4'-P energy: -95.934 bonds (distance) P-C4' energy: -97.482 flat angles C4'-P-C4' energy: -105.135 flat angles P-C4'-P energy: -75.078 tors. eta vs tors. theta energy: -155.956 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: 8 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1644.939734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.939734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.939734 (E_RNA) where: Base-Base interactions energy: -1113.884 where: short stacking energy: -491.430 Base-Backbone interact. energy: -0.376 local terms energy: -530.680388 where: bonds (distance) C4'-P energy: -94.112 bonds (distance) P-C4' energy: -95.604 flat angles C4'-P-C4' energy: -112.503 flat angles P-C4'-P energy: -80.836 tors. eta vs tors. theta energy: -147.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1502.343793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.343793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.343793 (E_RNA) where: Base-Base interactions energy: -1033.845 where: short stacking energy: -426.177 Base-Backbone interact. energy: -0.685 local terms energy: -467.813331 where: bonds (distance) C4'-P energy: -89.153 bonds (distance) P-C4' energy: -86.719 flat angles C4'-P-C4' energy: -98.291 flat angles P-C4'-P energy: -71.710 tors. eta vs tors. theta energy: -121.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -1333.793518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.793518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.793518 (E_RNA) where: Base-Base interactions energy: -896.811 where: short stacking energy: -404.880 Base-Backbone interact. energy: 0.745 local terms energy: -437.727685 where: bonds (distance) C4'-P energy: -87.640 bonds (distance) P-C4' energy: -86.061 flat angles C4'-P-C4' energy: -91.097 flat angles P-C4'-P energy: -64.690 tors. eta vs tors. theta energy: -108.240 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: 6, replica: 4 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1317.939673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.939673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.939673 (E_RNA) where: Base-Base interactions energy: -921.759 where: short stacking energy: -364.193 Base-Backbone interact. energy: 4.824 local terms energy: -401.004832 where: bonds (distance) C4'-P energy: -75.882 bonds (distance) P-C4' energy: -82.721 flat angles C4'-P-C4' energy: -93.189 flat angles P-C4'-P energy: -57.239 tors. eta vs tors. theta energy: -91.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1119.215875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.215875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.215875 (E_RNA) where: Base-Base interactions energy: -726.469 where: short stacking energy: -323.030 Base-Backbone interact. energy: -2.790 local terms energy: -389.957482 where: bonds (distance) C4'-P energy: -93.041 bonds (distance) P-C4' energy: -95.200 flat angles C4'-P-C4' energy: -94.857 flat angles P-C4'-P energy: -43.585 tors. eta vs tors. theta energy: -63.275 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: 1 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -795.003383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.003383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.003383 (E_RNA) where: Base-Base interactions energy: -478.291 where: short stacking energy: -232.856 Base-Backbone interact. energy: -0.029 local terms energy: -316.683510 where: bonds (distance) C4'-P energy: -78.151 bonds (distance) P-C4' energy: -84.041 flat angles C4'-P-C4' energy: -73.926 flat angles P-C4'-P energy: -47.004 tors. eta vs tors. theta energy: -33.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -752.608788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.608788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.608788 (E_RNA) where: Base-Base interactions energy: -429.527 where: short stacking energy: -226.509 Base-Backbone interact. energy: -1.364 local terms energy: -321.717578 where: bonds (distance) C4'-P energy: -70.559 bonds (distance) P-C4' energy: -78.359 flat angles C4'-P-C4' energy: -87.504 flat angles P-C4'-P energy: -45.187 tors. eta vs tors. theta energy: -40.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -384.257108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.257108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.257108 (E_RNA) where: Base-Base interactions energy: -144.458 where: short stacking energy: -124.206 Base-Backbone interact. energy: -1.060 local terms energy: -238.739130 where: bonds (distance) C4'-P energy: -63.899 bonds (distance) P-C4' energy: -80.496 flat angles C4'-P-C4' energy: -60.503 flat angles P-C4'-P energy: -39.488 tors. eta vs tors. theta energy: 5.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1718.706852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.706852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.706852 (E_RNA) where: Base-Base interactions energy: -1177.750 where: short stacking energy: -508.727 Base-Backbone interact. energy: -1.237 local terms energy: -539.719785 where: bonds (distance) C4'-P energy: -98.508 bonds (distance) P-C4' energy: -98.176 flat angles C4'-P-C4' energy: -115.205 flat angles P-C4'-P energy: -74.070 tors. eta vs tors. theta energy: -153.761 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: 286 Temperature: 0.950000 Total energy: -1687.276083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.276083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.276083 (E_RNA) where: Base-Base interactions energy: -1149.121 where: short stacking energy: -504.580 Base-Backbone interact. energy: -1.805 local terms energy: -536.349978 where: bonds (distance) C4'-P energy: -103.229 bonds (distance) P-C4' energy: -101.310 flat angles C4'-P-C4' energy: -112.756 flat angles P-C4'-P energy: -67.473 tors. eta vs tors. theta energy: -151.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1636.965683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.965683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.965683 (E_RNA) where: Base-Base interactions energy: -1135.024 where: short stacking energy: -506.086 Base-Backbone interact. energy: -0.067 local terms energy: -501.874187 where: bonds (distance) C4'-P energy: -83.838 bonds (distance) P-C4' energy: -92.202 flat angles C4'-P-C4' energy: -101.568 flat angles P-C4'-P energy: -65.056 tors. eta vs tors. theta energy: -159.210 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: 4, replica: 10 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1499.999366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.999366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.999366 (E_RNA) where: Base-Base interactions energy: -1023.086 where: short stacking energy: -417.874 Base-Backbone interact. energy: -3.173 local terms energy: -473.740693 where: bonds (distance) C4'-P energy: -75.605 bonds (distance) P-C4' energy: -99.074 flat angles C4'-P-C4' energy: -103.742 flat angles P-C4'-P energy: -75.241 tors. eta vs tors. theta energy: -120.080 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: 7 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1337.112090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.112090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.112090 (E_RNA) where: Base-Base interactions energy: -886.289 where: short stacking energy: -407.192 Base-Backbone interact. energy: -0.651 local terms energy: -450.172862 where: bonds (distance) C4'-P energy: -76.353 bonds (distance) P-C4' energy: -93.933 flat angles C4'-P-C4' energy: -88.754 flat angles P-C4'-P energy: -68.494 tors. eta vs tors. theta energy: -122.640 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: 4 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1305.254321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.254321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.254321 (E_RNA) where: Base-Base interactions energy: -900.512 where: short stacking energy: -359.768 Base-Backbone interact. energy: -0.970 local terms energy: -403.772663 where: bonds (distance) C4'-P energy: -77.879 bonds (distance) P-C4' energy: -81.035 flat angles C4'-P-C4' energy: -106.573 flat angles P-C4'-P energy: -43.806 tors. eta vs tors. theta energy: -94.480 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: 5 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1109.910699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.910699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.910699 (E_RNA) where: Base-Base interactions energy: -735.007 where: short stacking energy: -334.212 Base-Backbone interact. energy: -0.931 local terms energy: -373.972115 where: bonds (distance) C4'-P energy: -85.144 bonds (distance) P-C4' energy: -74.268 flat angles C4'-P-C4' energy: -86.695 flat angles P-C4'-P energy: -57.868 tors. eta vs tors. theta energy: -69.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -821.406700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.406700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.406700 (E_RNA) where: Base-Base interactions energy: -489.423 where: short stacking energy: -248.913 Base-Backbone interact. energy: -1.332 local terms energy: -330.651872 where: bonds (distance) C4'-P energy: -69.556 bonds (distance) P-C4' energy: -86.185 flat angles C4'-P-C4' energy: -82.182 flat angles P-C4'-P energy: -57.459 tors. eta vs tors. theta energy: -35.270 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: 9, replica: 9 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -812.580516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.580516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.580516 (E_RNA) where: Base-Base interactions energy: -487.650 where: short stacking energy: -242.288 Base-Backbone interact. energy: -1.008 local terms energy: -323.922872 where: bonds (distance) C4'-P energy: -86.918 bonds (distance) P-C4' energy: -83.267 flat angles C4'-P-C4' energy: -66.632 flat angles P-C4'-P energy: -53.239 tors. eta vs tors. theta energy: -33.867 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: 3 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -430.045081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.045081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.045081 (E_RNA) where: Base-Base interactions energy: -176.994 where: short stacking energy: -114.374 Base-Backbone interact. energy: 0.215 local terms energy: -253.266662 where: bonds (distance) C4'-P energy: -84.669 bonds (distance) P-C4' energy: -87.267 flat angles C4'-P-C4' energy: -62.764 flat angles P-C4'-P energy: -39.053 tors. eta vs tors. theta energy: 20.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1747.601258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.601258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.601258 (E_RNA) where: Base-Base interactions energy: -1210.629 where: short stacking energy: -537.579 Base-Backbone interact. energy: -0.485 local terms energy: -536.487021 where: bonds (distance) C4'-P energy: -101.392 bonds (distance) P-C4' energy: -93.600 flat angles C4'-P-C4' energy: -104.979 flat angles P-C4'-P energy: -79.228 tors. eta vs tors. theta energy: -157.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1666.052779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.052779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.052779 (E_RNA) where: Base-Base interactions energy: -1155.593 where: short stacking energy: -485.474 Base-Backbone interact. energy: -1.457 local terms energy: -509.002808 where: bonds (distance) C4'-P energy: -104.007 bonds (distance) P-C4' energy: -90.920 flat angles C4'-P-C4' energy: -95.931 flat angles P-C4'-P energy: -67.042 tors. eta vs tors. theta energy: -151.103 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: 8 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1651.660282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.660282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.660282 (E_RNA) where: Base-Base interactions energy: -1143.427 where: short stacking energy: -506.876 Base-Backbone interact. energy: -3.084 local terms energy: -505.149849 where: bonds (distance) C4'-P energy: -74.877 bonds (distance) P-C4' energy: -88.512 flat angles C4'-P-C4' energy: -110.314 flat angles P-C4'-P energy: -82.231 tors. eta vs tors. theta energy: -149.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1501.151985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.151985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.151985 (E_RNA) where: Base-Base interactions energy: -1041.617 where: short stacking energy: -425.463 Base-Backbone interact. energy: 0.196 local terms energy: -459.731246 where: bonds (distance) C4'-P energy: -81.836 bonds (distance) P-C4' energy: -88.748 flat angles C4'-P-C4' energy: -100.795 flat angles P-C4'-P energy: -69.288 tors. eta vs tors. theta energy: -119.065 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: 7 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1300.943814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.943814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.943814 (E_RNA) where: Base-Base interactions energy: -860.446 where: short stacking energy: -385.017 Base-Backbone interact. energy: -1.681 local terms energy: -438.816094 where: bonds (distance) C4'-P energy: -83.523 bonds (distance) P-C4' energy: -99.150 flat angles C4'-P-C4' energy: -95.778 flat angles P-C4'-P energy: -58.794 tors. eta vs tors. theta energy: -101.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1342.429322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.429322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.429322 (E_RNA) where: Base-Base interactions energy: -912.171 where: short stacking energy: -366.589 Base-Backbone interact. energy: -1.635 local terms energy: -428.623329 where: bonds (distance) C4'-P energy: -95.554 bonds (distance) P-C4' energy: -83.940 flat angles C4'-P-C4' energy: -92.927 flat angles P-C4'-P energy: -67.541 tors. eta vs tors. theta energy: -88.661 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: 5 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1080.463690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.463690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.463690 (E_RNA) where: Base-Base interactions energy: -695.507 where: short stacking energy: -314.067 Base-Backbone interact. energy: 1.699 local terms energy: -386.656045 where: bonds (distance) C4'-P energy: -71.433 bonds (distance) P-C4' energy: -84.973 flat angles C4'-P-C4' energy: -102.170 flat angles P-C4'-P energy: -54.451 tors. eta vs tors. theta energy: -73.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -858.525806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.525806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.525806 (E_RNA) where: Base-Base interactions energy: -522.014 where: short stacking energy: -257.388 Base-Backbone interact. energy: -3.815 local terms energy: -332.697097 where: bonds (distance) C4'-P energy: -85.495 bonds (distance) P-C4' energy: -86.385 flat angles C4'-P-C4' energy: -80.218 flat angles P-C4'-P energy: -28.479 tors. eta vs tors. theta energy: -52.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -770.433841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.433841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.433841 (E_RNA) where: Base-Base interactions energy: -448.725 where: short stacking energy: -223.159 Base-Backbone interact. energy: -0.140 local terms energy: -321.568377 where: bonds (distance) C4'-P energy: -84.355 bonds (distance) P-C4' energy: -88.495 flat angles C4'-P-C4' energy: -68.891 flat angles P-C4'-P energy: -45.401 tors. eta vs tors. theta energy: -34.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -396.612971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.612971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.612971 (E_RNA) where: Base-Base interactions energy: -152.808 where: short stacking energy: -116.001 Base-Backbone interact. energy: -1.264 local terms energy: -242.540480 where: bonds (distance) C4'-P energy: -73.311 bonds (distance) P-C4' energy: -80.542 flat angles C4'-P-C4' energy: -49.887 flat angles P-C4'-P energy: -42.581 tors. eta vs tors. theta energy: 3.781 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: 6 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1725.819621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.819621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.819621 (E_RNA) where: Base-Base interactions energy: -1185.643 where: short stacking energy: -522.056 Base-Backbone interact. energy: -0.585 local terms energy: -539.592091 where: bonds (distance) C4'-P energy: -96.484 bonds (distance) P-C4' energy: -102.577 flat angles C4'-P-C4' energy: -105.562 flat angles P-C4'-P energy: -73.963 tors. eta vs tors. theta energy: -161.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1662.735893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.735893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.735893 (E_RNA) where: Base-Base interactions energy: -1154.726 where: short stacking energy: -504.875 Base-Backbone interact. energy: 0.574 local terms energy: -508.583792 where: bonds (distance) C4'-P energy: -87.643 bonds (distance) P-C4' energy: -91.444 flat angles C4'-P-C4' energy: -104.522 flat angles P-C4'-P energy: -76.327 tors. eta vs tors. theta energy: -148.647 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: 8 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1620.811333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.811333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.811333 (E_RNA) where: Base-Base interactions energy: -1098.674 where: short stacking energy: -472.447 Base-Backbone interact. energy: -3.087 local terms energy: -519.050360 where: bonds (distance) C4'-P energy: -91.332 bonds (distance) P-C4' energy: -100.635 flat angles C4'-P-C4' energy: -111.737 flat angles P-C4'-P energy: -78.460 tors. eta vs tors. theta energy: -136.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1502.084992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.084992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.084992 (E_RNA) where: Base-Base interactions energy: -1043.590 where: short stacking energy: -410.566 Base-Backbone interact. energy: -2.114 local terms energy: -456.380927 where: bonds (distance) C4'-P energy: -76.555 bonds (distance) P-C4' energy: -94.660 flat angles C4'-P-C4' energy: -101.502 flat angles P-C4'-P energy: -68.339 tors. eta vs tors. theta energy: -115.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1354.345610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.345610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.345610 (E_RNA) where: Base-Base interactions energy: -890.466 where: short stacking energy: -396.886 Base-Backbone interact. energy: -2.591 local terms energy: -461.288335 where: bonds (distance) C4'-P energy: -93.165 bonds (distance) P-C4' energy: -89.035 flat angles C4'-P-C4' energy: -97.878 flat angles P-C4'-P energy: -68.996 tors. eta vs tors. theta energy: -112.215 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: 4 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1310.625818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.625818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.625818 (E_RNA) where: Base-Base interactions energy: -906.726 where: short stacking energy: -377.124 Base-Backbone interact. energy: -2.549 local terms energy: -401.350066 where: bonds (distance) C4'-P energy: -81.351 bonds (distance) P-C4' energy: -73.421 flat angles C4'-P-C4' energy: -77.950 flat angles P-C4'-P energy: -66.343 tors. eta vs tors. theta energy: -102.286 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: 7, replica: 5 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1156.837645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.837645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.837645 (E_RNA) where: Base-Base interactions energy: -745.099 where: short stacking energy: -329.649 Base-Backbone interact. energy: -1.350 local terms energy: -410.389322 where: bonds (distance) C4'-P energy: -89.277 bonds (distance) P-C4' energy: -86.454 flat angles C4'-P-C4' energy: -90.914 flat angles P-C4'-P energy: -55.414 tors. eta vs tors. theta energy: -88.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -844.385446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.385446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.385446 (E_RNA) where: Base-Base interactions energy: -497.950 where: short stacking energy: -253.706 Base-Backbone interact. energy: -1.001 local terms energy: -345.435185 where: bonds (distance) C4'-P energy: -72.645 bonds (distance) P-C4' energy: -78.364 flat angles C4'-P-C4' energy: -99.941 flat angles P-C4'-P energy: -54.452 tors. eta vs tors. theta energy: -40.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -757.766952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.766952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.766952 (E_RNA) where: Base-Base interactions energy: -435.690 where: short stacking energy: -225.769 Base-Backbone interact. energy: -1.423 local terms energy: -320.653295 where: bonds (distance) C4'-P energy: -73.241 bonds (distance) P-C4' energy: -82.482 flat angles C4'-P-C4' energy: -73.391 flat angles P-C4'-P energy: -50.733 tors. eta vs tors. theta energy: -40.807 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: 3 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -401.857015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.857015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.857015 (E_RNA) where: Base-Base interactions energy: -157.941 where: short stacking energy: -139.080 Base-Backbone interact. energy: -1.919 local terms energy: -241.996210 where: bonds (distance) C4'-P energy: -77.231 bonds (distance) P-C4' energy: -87.009 flat angles C4'-P-C4' energy: -57.753 flat angles P-C4'-P energy: -16.527 tors. eta vs tors. theta energy: -3.476 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: 6 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1721.834950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.834950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.834950 (E_RNA) where: Base-Base interactions energy: -1175.463 where: short stacking energy: -533.537 Base-Backbone interact. energy: -2.129 local terms energy: -544.242892 where: bonds (distance) C4'-P energy: -86.525 bonds (distance) P-C4' energy: -98.343 flat angles C4'-P-C4' energy: -120.684 flat angles P-C4'-P energy: -73.587 tors. eta vs tors. theta energy: -165.104 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: 2 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1683.369459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.369459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.369459 (E_RNA) where: Base-Base interactions energy: -1133.250 where: short stacking energy: -504.703 Base-Backbone interact. energy: -1.723 local terms energy: -548.396973 where: bonds (distance) C4'-P energy: -95.176 bonds (distance) P-C4' energy: -107.164 flat angles C4'-P-C4' energy: -116.322 flat angles P-C4'-P energy: -70.954 tors. eta vs tors. theta energy: -158.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1623.537271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.537271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.537271 (E_RNA) where: Base-Base interactions energy: -1136.728 where: short stacking energy: -497.027 Base-Backbone interact. energy: -1.801 local terms energy: -485.008897 where: bonds (distance) C4'-P energy: -84.214 bonds (distance) P-C4' energy: -93.819 flat angles C4'-P-C4' energy: -112.064 flat angles P-C4'-P energy: -59.662 tors. eta vs tors. theta energy: -135.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1520.626717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.626717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.626717 (E_RNA) where: Base-Base interactions energy: -1036.984 where: short stacking energy: -426.015 Base-Backbone interact. energy: -3.201 local terms energy: -480.442359 where: bonds (distance) C4'-P energy: -83.165 bonds (distance) P-C4' energy: -93.679 flat angles C4'-P-C4' energy: -104.024 flat angles P-C4'-P energy: -79.063 tors. eta vs tors. theta energy: -120.511 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: 7 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1357.195706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.195706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.195706 (E_RNA) where: Base-Base interactions energy: -912.819 where: short stacking energy: -387.776 Base-Backbone interact. energy: -5.430 local terms energy: -438.946563 where: bonds (distance) C4'-P energy: -88.839 bonds (distance) P-C4' energy: -92.465 flat angles C4'-P-C4' energy: -89.681 flat angles P-C4'-P energy: -61.817 tors. eta vs tors. theta energy: -106.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1349.767367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.767367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.767367 (E_RNA) where: Base-Base interactions energy: -919.563 where: short stacking energy: -390.856 Base-Backbone interact. energy: -2.420 local terms energy: -427.784465 where: bonds (distance) C4'-P energy: -84.761 bonds (distance) P-C4' energy: -90.211 flat angles C4'-P-C4' energy: -94.442 flat angles P-C4'-P energy: -65.932 tors. eta vs tors. theta energy: -92.438 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: 5 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1141.848093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.848093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.848093 (E_RNA) where: Base-Base interactions energy: -748.000 where: short stacking energy: -323.679 Base-Backbone interact. energy: -0.852 local terms energy: -392.996134 where: bonds (distance) C4'-P energy: -78.190 bonds (distance) P-C4' energy: -94.973 flat angles C4'-P-C4' energy: -81.821 flat angles P-C4'-P energy: -63.534 tors. eta vs tors. theta energy: -74.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -842.069136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.069136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.069136 (E_RNA) where: Base-Base interactions energy: -476.745 where: short stacking energy: -248.682 Base-Backbone interact. energy: -1.957 local terms energy: -363.367949 where: bonds (distance) C4'-P energy: -82.038 bonds (distance) P-C4' energy: -94.105 flat angles C4'-P-C4' energy: -89.489 flat angles P-C4'-P energy: -53.545 tors. eta vs tors. theta energy: -44.190 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: 9 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -709.843353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.843353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.843353 (E_RNA) where: Base-Base interactions energy: -415.473 where: short stacking energy: -211.298 Base-Backbone interact. energy: -2.423 local terms energy: -291.946689 where: bonds (distance) C4'-P energy: -67.884 bonds (distance) P-C4' energy: -69.810 flat angles C4'-P-C4' energy: -74.077 flat angles P-C4'-P energy: -48.937 tors. eta vs tors. theta energy: -31.239 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: 3 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -387.567652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.567652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.567652 (E_RNA) where: Base-Base interactions energy: -151.737 where: short stacking energy: -129.101 Base-Backbone interact. energy: 3.921 local terms energy: -239.751278 where: bonds (distance) C4'-P energy: -82.044 bonds (distance) P-C4' energy: -72.114 flat angles C4'-P-C4' energy: -71.411 flat angles P-C4'-P energy: -36.361 tors. eta vs tors. theta energy: 22.178 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: 6 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1711.122633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.122633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.122633 (E_RNA) where: Base-Base interactions energy: -1180.275 where: short stacking energy: -524.845 Base-Backbone interact. energy: -1.291 local terms energy: -529.556304 where: bonds (distance) C4'-P energy: -89.145 bonds (distance) P-C4' energy: -98.644 flat angles C4'-P-C4' energy: -106.807 flat angles P-C4'-P energy: -78.003 tors. eta vs tors. theta energy: -156.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1674.532895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.532895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.532895 (E_RNA) where: Base-Base interactions energy: -1171.164 where: short stacking energy: -518.222 Base-Backbone interact. energy: -1.474 local terms energy: -501.894304 where: bonds (distance) C4'-P energy: -85.677 bonds (distance) P-C4' energy: -86.048 flat angles C4'-P-C4' energy: -112.195 flat angles P-C4'-P energy: -61.471 tors. eta vs tors. theta energy: -156.504 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: 10 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1551.873580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.873580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.873580 (E_RNA) where: Base-Base interactions energy: -1080.657 where: short stacking energy: -454.745 Base-Backbone interact. energy: -2.564 local terms energy: -468.652909 where: bonds (distance) C4'-P energy: -77.162 bonds (distance) P-C4' energy: -94.427 flat angles C4'-P-C4' energy: -100.255 flat angles P-C4'-P energy: -68.570 tors. eta vs tors. theta energy: -128.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1623.104748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.104748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.104748 (E_RNA) where: Base-Base interactions energy: -1144.154 where: short stacking energy: -495.808 Base-Backbone interact. energy: -1.771 local terms energy: -477.179752 where: bonds (distance) C4'-P energy: -77.585 bonds (distance) P-C4' energy: -78.145 flat angles C4'-P-C4' energy: -106.232 flat angles P-C4'-P energy: -63.923 tors. eta vs tors. theta energy: -151.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1359.493879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.493879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.493879 (E_RNA) where: Base-Base interactions energy: -920.005 where: short stacking energy: -385.509 Base-Backbone interact. energy: -2.814 local terms energy: -436.674839 where: bonds (distance) C4'-P energy: -87.326 bonds (distance) P-C4' energy: -80.723 flat angles C4'-P-C4' energy: -96.910 flat angles P-C4'-P energy: -58.462 tors. eta vs tors. theta energy: -113.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1265.176458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.176458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.176458 (E_RNA) where: Base-Base interactions energy: -849.517 where: short stacking energy: -347.405 Base-Backbone interact. energy: -0.027 local terms energy: -415.632435 where: bonds (distance) C4'-P energy: -81.594 bonds (distance) P-C4' energy: -91.605 flat angles C4'-P-C4' energy: -94.213 flat angles P-C4'-P energy: -65.423 tors. eta vs tors. theta energy: -82.798 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: 5 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1135.470889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.470889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.470889 (E_RNA) where: Base-Base interactions energy: -736.263 where: short stacking energy: -356.954 Base-Backbone interact. energy: -1.924 local terms energy: -397.283969 where: bonds (distance) C4'-P energy: -89.681 bonds (distance) P-C4' energy: -71.306 flat angles C4'-P-C4' energy: -90.039 flat angles P-C4'-P energy: -63.552 tors. eta vs tors. theta energy: -82.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -887.093390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.093390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.093390 (E_RNA) where: Base-Base interactions energy: -541.854 where: short stacking energy: -249.737 Base-Backbone interact. energy: -1.758 local terms energy: -343.481999 where: bonds (distance) C4'-P energy: -78.870 bonds (distance) P-C4' energy: -78.498 flat angles C4'-P-C4' energy: -90.737 flat angles P-C4'-P energy: -39.402 tors. eta vs tors. theta energy: -55.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -729.409584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.409584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.409584 (E_RNA) where: Base-Base interactions energy: -405.170 where: short stacking energy: -202.003 Base-Backbone interact. energy: 1.957 local terms energy: -326.197057 where: bonds (distance) C4'-P energy: -83.830 bonds (distance) P-C4' energy: -88.284 flat angles C4'-P-C4' energy: -83.441 flat angles P-C4'-P energy: -47.392 tors. eta vs tors. theta energy: -23.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -391.273269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.273269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.273269 (E_RNA) where: Base-Base interactions energy: -134.257 where: short stacking energy: -95.271 Base-Backbone interact. energy: -1.312 local terms energy: -255.704718 where: bonds (distance) C4'-P energy: -83.889 bonds (distance) P-C4' energy: -85.836 flat angles C4'-P-C4' energy: -67.877 flat angles P-C4'-P energy: -37.486 tors. eta vs tors. theta energy: 19.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1718.957279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.957279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.957279 (E_RNA) where: Base-Base interactions energy: -1161.495 where: short stacking energy: -551.802 Base-Backbone interact. energy: -2.121 local terms energy: -555.342023 where: bonds (distance) C4'-P energy: -106.449 bonds (distance) P-C4' energy: -109.629 flat angles C4'-P-C4' energy: -114.007 flat angles P-C4'-P energy: -64.377 tors. eta vs tors. theta energy: -160.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1703.900309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.900309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.900309 (E_RNA) where: Base-Base interactions energy: -1169.598 where: short stacking energy: -500.685 Base-Backbone interact. energy: -1.241 local terms energy: -533.061173 where: bonds (distance) C4'-P energy: -96.854 bonds (distance) P-C4' energy: -98.273 flat angles C4'-P-C4' energy: -116.117 flat angles P-C4'-P energy: -68.240 tors. eta vs tors. theta energy: -153.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1567.963699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.963699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.963699 (E_RNA) where: Base-Base interactions energy: -1097.568 where: short stacking energy: -458.142 Base-Backbone interact. energy: -0.958 local terms energy: -469.437280 where: bonds (distance) C4'-P energy: -68.200 bonds (distance) P-C4' energy: -83.750 flat angles C4'-P-C4' energy: -107.614 flat angles P-C4'-P energy: -81.911 tors. eta vs tors. theta energy: -127.961 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: 8 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1586.361682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.361682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.361682 (E_RNA) where: Base-Base interactions energy: -1097.143 where: short stacking energy: -469.415 Base-Backbone interact. energy: 1.300 local terms energy: -490.518540 where: bonds (distance) C4'-P energy: -94.628 bonds (distance) P-C4' energy: -90.612 flat angles C4'-P-C4' energy: -108.575 flat angles P-C4'-P energy: -57.545 tors. eta vs tors. theta energy: -139.159 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: 7 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1411.621271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.621271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.621271 (E_RNA) where: Base-Base interactions energy: -942.807 where: short stacking energy: -417.214 Base-Backbone interact. energy: 0.562 local terms energy: -469.376662 where: bonds (distance) C4'-P energy: -99.252 bonds (distance) P-C4' energy: -84.681 flat angles C4'-P-C4' energy: -102.569 flat angles P-C4'-P energy: -64.097 tors. eta vs tors. theta energy: -118.779 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: 6, replica: 4 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1300.407139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.407139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.407139 (E_RNA) where: Base-Base interactions energy: -893.544 where: short stacking energy: -352.949 Base-Backbone interact. energy: -1.251 local terms energy: -405.611983 where: bonds (distance) C4'-P energy: -61.605 bonds (distance) P-C4' energy: -102.543 flat angles C4'-P-C4' energy: -86.906 flat angles P-C4'-P energy: -62.015 tors. eta vs tors. theta energy: -92.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1094.377490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.377490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.377490 (E_RNA) where: Base-Base interactions energy: -728.293 where: short stacking energy: -319.881 Base-Backbone interact. energy: 0.976 local terms energy: -367.060873 where: bonds (distance) C4'-P energy: -70.314 bonds (distance) P-C4' energy: -78.689 flat angles C4'-P-C4' energy: -94.512 flat angles P-C4'-P energy: -59.426 tors. eta vs tors. theta energy: -64.120 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: 1 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -827.006001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.006001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.006001 (E_RNA) where: Base-Base interactions energy: -508.812 where: short stacking energy: -271.313 Base-Backbone interact. energy: -3.201 local terms energy: -314.993215 where: bonds (distance) C4'-P energy: -73.684 bonds (distance) P-C4' energy: -73.883 flat angles C4'-P-C4' energy: -70.619 flat angles P-C4'-P energy: -48.075 tors. eta vs tors. theta energy: -48.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -706.945703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.945703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.945703 (E_RNA) where: Base-Base interactions energy: -402.091 where: short stacking energy: -192.009 Base-Backbone interact. energy: -0.658 local terms energy: -304.196815 where: bonds (distance) C4'-P energy: -75.344 bonds (distance) P-C4' energy: -80.792 flat angles C4'-P-C4' energy: -80.928 flat angles P-C4'-P energy: -50.821 tors. eta vs tors. theta energy: -16.313 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: 3 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -391.854256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.854256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.854256 (E_RNA) where: Base-Base interactions energy: -146.370 where: short stacking energy: -133.520 Base-Backbone interact. energy: 1.135 local terms energy: -246.619135 where: bonds (distance) C4'-P energy: -65.053 bonds (distance) P-C4' energy: -86.916 flat angles C4'-P-C4' energy: -55.216 flat angles P-C4'-P energy: -38.730 tors. eta vs tors. theta energy: -0.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1711.721637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.721637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.721637 (E_RNA) where: Base-Base interactions energy: -1180.877 where: short stacking energy: -525.162 Base-Backbone interact. energy: -1.275 local terms energy: -529.569168 where: bonds (distance) C4'-P energy: -89.566 bonds (distance) P-C4' energy: -96.339 flat angles C4'-P-C4' energy: -118.435 flat angles P-C4'-P energy: -74.583 tors. eta vs tors. theta energy: -150.646 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: 2 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1654.326181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.326181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.326181 (E_RNA) where: Base-Base interactions energy: -1155.006 where: short stacking energy: -502.864 Base-Backbone interact. energy: -2.151 local terms energy: -497.169532 where: bonds (distance) C4'-P energy: -89.754 bonds (distance) P-C4' energy: -77.964 flat angles C4'-P-C4' energy: -104.868 flat angles P-C4'-P energy: -75.533 tors. eta vs tors. theta energy: -149.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1615.783551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.783551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.783551 (E_RNA) where: Base-Base interactions energy: -1114.938 where: short stacking energy: -484.774 Base-Backbone interact. energy: 0.434 local terms energy: -501.279298 where: bonds (distance) C4'-P energy: -90.128 bonds (distance) P-C4' energy: -100.676 flat angles C4'-P-C4' energy: -110.556 flat angles P-C4'-P energy: -66.594 tors. eta vs tors. theta energy: -133.325 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: 10 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1514.471094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.471094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.471094 (E_RNA) where: Base-Base interactions energy: -1053.668 where: short stacking energy: -427.317 Base-Backbone interact. energy: -0.886 local terms energy: -459.916800 where: bonds (distance) C4'-P energy: -88.840 bonds (distance) P-C4' energy: -90.653 flat angles C4'-P-C4' energy: -91.918 flat angles P-C4'-P energy: -68.246 tors. eta vs tors. theta energy: -120.260 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: 4 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1330.991300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.991300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.991300 (E_RNA) where: Base-Base interactions energy: -904.091 where: short stacking energy: -390.525 Base-Backbone interact. energy: -1.820 local terms energy: -425.080754 where: bonds (distance) C4'-P energy: -92.965 bonds (distance) P-C4' energy: -77.983 flat angles C4'-P-C4' energy: -94.419 flat angles P-C4'-P energy: -60.934 tors. eta vs tors. theta energy: -98.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1325.640383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.640383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.640383 (E_RNA) where: Base-Base interactions energy: -899.325 where: short stacking energy: -403.848 Base-Backbone interact. energy: -1.783 local terms energy: -424.532038 where: bonds (distance) C4'-P energy: -65.623 bonds (distance) P-C4' energy: -87.953 flat angles C4'-P-C4' energy: -97.222 flat angles P-C4'-P energy: -55.807 tors. eta vs tors. theta energy: -117.927 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: 7, replica: 5 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1108.012875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.012875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.012875 (E_RNA) where: Base-Base interactions energy: -715.706 where: short stacking energy: -314.534 Base-Backbone interact. energy: -0.968 local terms energy: -391.338772 where: bonds (distance) C4'-P energy: -94.135 bonds (distance) P-C4' energy: -70.942 flat angles C4'-P-C4' energy: -78.148 flat angles P-C4'-P energy: -64.607 tors. eta vs tors. theta energy: -83.508 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: 8, replica: 1 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -847.680365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.680365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.680365 (E_RNA) where: Base-Base interactions energy: -493.713 where: short stacking energy: -240.451 Base-Backbone interact. energy: -4.176 local terms energy: -349.791429 where: bonds (distance) C4'-P energy: -88.212 bonds (distance) P-C4' energy: -86.711 flat angles C4'-P-C4' energy: -84.580 flat angles P-C4'-P energy: -53.731 tors. eta vs tors. theta energy: -36.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -709.583181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.583181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.583181 (E_RNA) where: Base-Base interactions energy: -419.215 where: short stacking energy: -193.926 Base-Backbone interact. energy: -0.041 local terms energy: -290.327482 where: bonds (distance) C4'-P energy: -79.355 bonds (distance) P-C4' energy: -74.492 flat angles C4'-P-C4' energy: -71.108 flat angles P-C4'-P energy: -44.781 tors. eta vs tors. theta energy: -20.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -409.911128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.911128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.911128 (E_RNA) where: Base-Base interactions energy: -130.402 where: short stacking energy: -113.083 Base-Backbone interact. energy: 0.070 local terms energy: -279.578436 where: bonds (distance) C4'-P energy: -86.040 bonds (distance) P-C4' energy: -88.526 flat angles C4'-P-C4' energy: -62.566 flat angles P-C4'-P energy: -46.863 tors. eta vs tors. theta energy: 4.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1721.770402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.770402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.770402 (E_RNA) where: Base-Base interactions energy: -1178.595 where: short stacking energy: -521.794 Base-Backbone interact. energy: -1.228 local terms energy: -541.946976 where: bonds (distance) C4'-P energy: -94.466 bonds (distance) P-C4' energy: -100.120 flat angles C4'-P-C4' energy: -111.462 flat angles P-C4'-P energy: -80.703 tors. eta vs tors. theta energy: -155.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1637.861420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.861420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.861420 (E_RNA) where: Base-Base interactions energy: -1132.610 where: short stacking energy: -495.395 Base-Backbone interact. energy: 2.209 local terms energy: -507.459884 where: bonds (distance) C4'-P energy: -84.086 bonds (distance) P-C4' energy: -95.513 flat angles C4'-P-C4' energy: -110.503 flat angles P-C4'-P energy: -78.854 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: 8 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1646.102677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.102677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.102677 (E_RNA) where: Base-Base interactions energy: -1144.715 where: short stacking energy: -495.191 Base-Backbone interact. energy: -1.195 local terms energy: -500.192540 where: bonds (distance) C4'-P energy: -88.677 bonds (distance) P-C4' energy: -86.371 flat angles C4'-P-C4' energy: -108.498 flat angles P-C4'-P energy: -69.747 tors. eta vs tors. theta energy: -146.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1503.767941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.767941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.767941 (E_RNA) where: Base-Base interactions energy: -1030.996 where: short stacking energy: -425.627 Base-Backbone interact. energy: -2.991 local terms energy: -469.780591 where: bonds (distance) C4'-P energy: -82.400 bonds (distance) P-C4' energy: -93.989 flat angles C4'-P-C4' energy: -108.341 flat angles P-C4'-P energy: -67.379 tors. eta vs tors. theta energy: -117.671 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: 5, replica: 4 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -1400.294119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.294119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.294119 (E_RNA) where: Base-Base interactions energy: -971.608 where: short stacking energy: -393.920 Base-Backbone interact. energy: -3.168 local terms energy: -425.517808 where: bonds (distance) C4'-P energy: -72.460 bonds (distance) P-C4' energy: -92.922 flat angles C4'-P-C4' energy: -100.952 flat angles P-C4'-P energy: -60.456 tors. eta vs tors. theta energy: -98.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1352.297104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.297104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.297104 (E_RNA) where: Base-Base interactions energy: -905.719 where: short stacking energy: -409.832 Base-Backbone interact. energy: -0.214 local terms energy: -446.364278 where: bonds (distance) C4'-P energy: -74.810 bonds (distance) P-C4' energy: -91.828 flat angles C4'-P-C4' energy: -100.382 flat angles P-C4'-P energy: -57.275 tors. eta vs tors. theta energy: -122.070 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: 5 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1089.421757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.421757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.421757 (E_RNA) where: Base-Base interactions energy: -721.223 where: short stacking energy: -329.426 Base-Backbone interact. energy: 0.757 local terms energy: -368.956564 where: bonds (distance) C4'-P energy: -83.092 bonds (distance) P-C4' energy: -78.363 flat angles C4'-P-C4' energy: -85.366 flat angles P-C4'-P energy: -49.422 tors. eta vs tors. theta energy: -72.714 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: 8, replica: 1 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -858.286153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.286153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.286153 (E_RNA) where: Base-Base interactions energy: -520.710 where: short stacking energy: -261.575 Base-Backbone interact. energy: 0.990 local terms energy: -338.566702 where: bonds (distance) C4'-P energy: -81.224 bonds (distance) P-C4' energy: -93.392 flat angles C4'-P-C4' energy: -77.513 flat angles P-C4'-P energy: -45.484 tors. eta vs tors. theta energy: -40.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -747.781106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.781106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.781106 (E_RNA) where: Base-Base interactions energy: -457.952 where: short stacking energy: -210.124 Base-Backbone interact. energy: -0.353 local terms energy: -289.476826 where: bonds (distance) C4'-P energy: -72.519 bonds (distance) P-C4' energy: -74.553 flat angles C4'-P-C4' energy: -72.271 flat angles P-C4'-P energy: -41.299 tors. eta vs tors. theta energy: -28.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -387.429799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.429799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.429799 (E_RNA) where: Base-Base interactions energy: -149.009 where: short stacking energy: -125.709 Base-Backbone interact. energy: 1.481 local terms energy: -239.902485 where: bonds (distance) C4'-P energy: -76.522 bonds (distance) P-C4' energy: -82.115 flat angles C4'-P-C4' energy: -72.852 flat angles P-C4'-P energy: -20.060 tors. eta vs tors. theta energy: 11.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1734.077703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.077703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.077703 (E_RNA) where: Base-Base interactions energy: -1192.383 where: short stacking energy: -532.269 Base-Backbone interact. energy: -1.574 local terms energy: -540.121276 where: bonds (distance) C4'-P energy: -89.380 bonds (distance) P-C4' energy: -94.861 flat angles C4'-P-C4' energy: -110.571 flat angles P-C4'-P energy: -83.926 tors. eta vs tors. theta energy: -161.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1662.256126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.256126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.256126 (E_RNA) where: Base-Base interactions energy: -1155.149 where: short stacking energy: -504.174 Base-Backbone interact. energy: -1.619 local terms energy: -505.487800 where: bonds (distance) C4'-P energy: -96.137 bonds (distance) P-C4' energy: -82.604 flat angles C4'-P-C4' energy: -102.613 flat angles P-C4'-P energy: -72.630 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: 3, replica: 8 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1639.929430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.929430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.929430 (E_RNA) where: Base-Base interactions energy: -1143.955 where: short stacking energy: -489.561 Base-Backbone interact. energy: 0.223 local terms energy: -496.198099 where: bonds (distance) C4'-P energy: -87.052 bonds (distance) P-C4' energy: -88.828 flat angles C4'-P-C4' energy: -103.037 flat angles P-C4'-P energy: -77.603 tors. eta vs tors. theta energy: -139.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1509.652881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.652881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.652881 (E_RNA) where: Base-Base interactions energy: -1061.365 where: short stacking energy: -420.190 Base-Backbone interact. energy: -2.504 local terms energy: -445.783349 where: bonds (distance) C4'-P energy: -82.864 bonds (distance) P-C4' energy: -78.819 flat angles C4'-P-C4' energy: -97.247 flat angles P-C4'-P energy: -67.713 tors. eta vs tors. theta energy: -119.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1404.449852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.449852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.449852 (E_RNA) where: Base-Base interactions energy: -964.056 where: short stacking energy: -397.095 Base-Backbone interact. energy: -2.675 local terms energy: -437.719246 where: bonds (distance) C4'-P energy: -95.411 bonds (distance) P-C4' energy: -69.788 flat angles C4'-P-C4' energy: -106.540 flat angles P-C4'-P energy: -58.887 tors. eta vs tors. theta energy: -107.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1370.172720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.172720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.172720 (E_RNA) where: Base-Base interactions energy: -920.153 where: short stacking energy: -427.578 Base-Backbone interact. energy: -2.033 local terms energy: -447.985979 where: bonds (distance) C4'-P energy: -84.563 bonds (distance) P-C4' energy: -88.803 flat angles C4'-P-C4' energy: -91.725 flat angles P-C4'-P energy: -58.562 tors. eta vs tors. theta energy: -124.333 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: 5 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1057.938406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.938406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.938406 (E_RNA) where: Base-Base interactions energy: -695.964 where: short stacking energy: -310.246 Base-Backbone interact. energy: -1.854 local terms energy: -360.120393 where: bonds (distance) C4'-P energy: -82.658 bonds (distance) P-C4' energy: -75.812 flat angles C4'-P-C4' energy: -92.726 flat angles P-C4'-P energy: -46.428 tors. eta vs tors. theta energy: -62.496 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: 1 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -867.780996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.780996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.780996 (E_RNA) where: Base-Base interactions energy: -527.400 where: short stacking energy: -264.487 Base-Backbone interact. energy: 1.807 local terms energy: -342.187917 where: bonds (distance) C4'-P energy: -81.102 bonds (distance) P-C4' energy: -78.777 flat angles C4'-P-C4' energy: -78.411 flat angles P-C4'-P energy: -59.174 tors. eta vs tors. theta energy: -44.723 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: 9 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -745.115214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.115214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.115214 (E_RNA) where: Base-Base interactions energy: -437.450 where: short stacking energy: -209.701 Base-Backbone interact. energy: -3.319 local terms energy: -304.346270 where: bonds (distance) C4'-P energy: -71.202 bonds (distance) P-C4' energy: -70.449 flat angles C4'-P-C4' energy: -73.569 flat angles P-C4'-P energy: -58.545 tors. eta vs tors. theta energy: -30.580 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: 10, replica: 3 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -381.429326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.429326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.429326 (E_RNA) where: Base-Base interactions energy: -137.303 where: short stacking energy: -113.179 Base-Backbone interact. energy: 2.387 local terms energy: -246.513358 where: bonds (distance) C4'-P energy: -84.980 bonds (distance) P-C4' energy: -80.410 flat angles C4'-P-C4' energy: -50.796 flat angles P-C4'-P energy: -44.838 tors. eta vs tors. theta energy: 14.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1743.348977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.348977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.348977 (E_RNA) where: Base-Base interactions energy: -1204.397 where: short stacking energy: -555.131 Base-Backbone interact. energy: 1.054 local terms energy: -540.006844 where: bonds (distance) C4'-P energy: -102.800 bonds (distance) P-C4' energy: -97.311 flat angles C4'-P-C4' energy: -107.542 flat angles P-C4'-P energy: -70.205 tors. eta vs tors. theta energy: -162.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1646.643643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.643643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.643643 (E_RNA) where: Base-Base interactions energy: -1118.170 where: short stacking energy: -512.011 Base-Backbone interact. energy: -2.094 local terms energy: -526.378975 where: bonds (distance) C4'-P energy: -89.265 bonds (distance) P-C4' energy: -103.401 flat angles C4'-P-C4' energy: -114.891 flat angles P-C4'-P energy: -68.244 tors. eta vs tors. theta energy: -150.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1647.656089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.656089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.656089 (E_RNA) where: Base-Base interactions energy: -1117.778 where: short stacking energy: -488.572 Base-Backbone interact. energy: -0.938 local terms energy: -528.940081 where: bonds (distance) C4'-P energy: -97.764 bonds (distance) P-C4' energy: -98.155 flat angles C4'-P-C4' energy: -107.760 flat angles P-C4'-P energy: -74.025 tors. eta vs tors. theta energy: -151.236 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: 4, replica: 4 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1451.787293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.787293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.787293 (E_RNA) where: Base-Base interactions energy: -1009.562 where: short stacking energy: -424.155 Base-Backbone interact. energy: -2.443 local terms energy: -439.781966 where: bonds (distance) C4'-P energy: -77.675 bonds (distance) P-C4' energy: -96.487 flat angles C4'-P-C4' energy: -99.850 flat angles P-C4'-P energy: -55.649 tors. eta vs tors. theta energy: -110.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -1503.866767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.866767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.866767 (E_RNA) where: Base-Base interactions energy: -1046.101 where: short stacking energy: -421.452 Base-Backbone interact. energy: -2.713 local terms energy: -455.052128 where: bonds (distance) C4'-P energy: -86.076 bonds (distance) P-C4' energy: -94.919 flat angles C4'-P-C4' energy: -99.773 flat angles P-C4'-P energy: -62.513 tors. eta vs tors. theta energy: -111.771 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: 7 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1340.740313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.740313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.740313 (E_RNA) where: Base-Base interactions energy: -919.840 where: short stacking energy: -391.393 Base-Backbone interact. energy: 1.320 local terms energy: -422.220587 where: bonds (distance) C4'-P energy: -87.605 bonds (distance) P-C4' energy: -81.833 flat angles C4'-P-C4' energy: -88.355 flat angles P-C4'-P energy: -60.244 tors. eta vs tors. theta energy: -104.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1053.355459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.355459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.355459 (E_RNA) where: Base-Base interactions energy: -690.670 where: short stacking energy: -306.067 Base-Backbone interact. energy: 0.664 local terms energy: -363.350078 where: bonds (distance) C4'-P energy: -81.034 bonds (distance) P-C4' energy: -80.481 flat angles C4'-P-C4' energy: -93.128 flat angles P-C4'-P energy: -54.283 tors. eta vs tors. theta energy: -54.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -830.716708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.716708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.716708 (E_RNA) where: Base-Base interactions energy: -513.491 where: short stacking energy: -262.374 Base-Backbone interact. energy: -1.970 local terms energy: -315.254942 where: bonds (distance) C4'-P energy: -74.454 bonds (distance) P-C4' energy: -73.076 flat angles C4'-P-C4' energy: -77.567 flat angles P-C4'-P energy: -50.156 tors. eta vs tors. theta energy: -40.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -719.832427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.832427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.832427 (E_RNA) where: Base-Base interactions energy: -417.830 where: short stacking energy: -204.756 Base-Backbone interact. energy: -2.336 local terms energy: -299.666536 where: bonds (distance) C4'-P energy: -82.654 bonds (distance) P-C4' energy: -77.511 flat angles C4'-P-C4' energy: -84.130 flat angles P-C4'-P energy: -38.194 tors. eta vs tors. theta energy: -17.177 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: 10, replica: 3 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -409.408877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.408877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.408877 (E_RNA) where: Base-Base interactions energy: -144.699 where: short stacking energy: -126.374 Base-Backbone interact. energy: -1.318 local terms energy: -263.392513 where: bonds (distance) C4'-P energy: -83.837 bonds (distance) P-C4' energy: -88.822 flat angles C4'-P-C4' energy: -64.250 flat angles P-C4'-P energy: -34.017 tors. eta vs tors. theta energy: 7.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1746.942111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.942111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.942111 (E_RNA) where: Base-Base interactions energy: -1186.846 where: short stacking energy: -546.322 Base-Backbone interact. energy: -2.641 local terms energy: -557.455583 where: bonds (distance) C4'-P energy: -104.738 bonds (distance) P-C4' energy: -93.810 flat angles C4'-P-C4' energy: -118.270 flat angles P-C4'-P energy: -77.111 tors. eta vs tors. theta energy: -163.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1642.591683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.591683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.591683 (E_RNA) where: Base-Base interactions energy: -1127.204 where: short stacking energy: -496.882 Base-Backbone interact. energy: -0.655 local terms energy: -514.733531 where: bonds (distance) C4'-P energy: -98.138 bonds (distance) P-C4' energy: -77.290 flat angles C4'-P-C4' energy: -108.535 flat angles P-C4'-P energy: -77.752 tors. eta vs tors. theta energy: -153.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1655.057296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.057296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.057296 (E_RNA) where: Base-Base interactions energy: -1161.738 where: short stacking energy: -530.890 Base-Backbone interact. energy: -1.474 local terms energy: -491.844781 where: bonds (distance) C4'-P energy: -93.188 bonds (distance) P-C4' energy: -89.213 flat angles C4'-P-C4' energy: -101.458 flat angles P-C4'-P energy: -67.423 tors. eta vs tors. theta energy: -140.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1469.089211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.089211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.089211 (E_RNA) where: Base-Base interactions energy: -1025.623 where: short stacking energy: -429.180 Base-Backbone interact. energy: 3.215 local terms energy: -446.680526 where: bonds (distance) C4'-P energy: -82.685 bonds (distance) P-C4' energy: -83.569 flat angles C4'-P-C4' energy: -98.546 flat angles P-C4'-P energy: -74.331 tors. eta vs tors. theta energy: -107.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1462.036181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.036181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.036181 (E_RNA) where: Base-Base interactions energy: -998.809 where: short stacking energy: -418.716 Base-Backbone interact. energy: -0.744 local terms energy: -462.483251 where: bonds (distance) C4'-P energy: -91.567 bonds (distance) P-C4' energy: -90.392 flat angles C4'-P-C4' energy: -95.883 flat angles P-C4'-P energy: -68.110 tors. eta vs tors. theta energy: -116.532 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: 7 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1335.090200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.090200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.090200 (E_RNA) where: Base-Base interactions energy: -910.700 where: short stacking energy: -392.594 Base-Backbone interact. energy: -0.185 local terms energy: -424.205032 where: bonds (distance) C4'-P energy: -88.429 bonds (distance) P-C4' energy: -85.988 flat angles C4'-P-C4' energy: -87.425 flat angles P-C4'-P energy: -52.079 tors. eta vs tors. theta energy: -110.285 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: 5 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1088.088566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.088566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.088566 (E_RNA) where: Base-Base interactions energy: -693.861 where: short stacking energy: -298.928 Base-Backbone interact. energy: -2.173 local terms energy: -392.053887 where: bonds (distance) C4'-P energy: -72.766 bonds (distance) P-C4' energy: -81.580 flat angles C4'-P-C4' energy: -90.326 flat angles P-C4'-P energy: -76.691 tors. eta vs tors. theta energy: -70.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -856.331796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.331796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.331796 (E_RNA) where: Base-Base interactions energy: -503.036 where: short stacking energy: -258.503 Base-Backbone interact. energy: -1.001 local terms energy: -352.293920 where: bonds (distance) C4'-P energy: -90.923 bonds (distance) P-C4' energy: -77.816 flat angles C4'-P-C4' energy: -72.665 flat angles P-C4'-P energy: -53.177 tors. eta vs tors. theta energy: -57.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -694.367332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.367332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.367332 (E_RNA) where: Base-Base interactions energy: -398.898 where: short stacking energy: -178.936 Base-Backbone interact. energy: -0.468 local terms energy: -295.001805 where: bonds (distance) C4'-P energy: -70.925 bonds (distance) P-C4' energy: -87.392 flat angles C4'-P-C4' energy: -84.256 flat angles P-C4'-P energy: -51.152 tors. eta vs tors. theta energy: -1.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -429.336658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.336658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.336658 (E_RNA) where: Base-Base interactions energy: -156.058 where: short stacking energy: -132.694 Base-Backbone interact. energy: -1.278 local terms energy: -272.000268 where: bonds (distance) C4'-P energy: -83.508 bonds (distance) P-C4' energy: -77.616 flat angles C4'-P-C4' energy: -71.553 flat angles P-C4'-P energy: -43.843 tors. eta vs tors. theta energy: 4.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1724.391674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.391674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.391674 (E_RNA) where: Base-Base interactions energy: -1181.781 where: short stacking energy: -533.257 Base-Backbone interact. energy: -1.968 local terms energy: -540.642932 where: bonds (distance) C4'-P energy: -94.574 bonds (distance) P-C4' energy: -93.860 flat angles C4'-P-C4' energy: -109.730 flat angles P-C4'-P energy: -81.221 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: 2, replica: 2 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1648.557555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.557555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.557555 (E_RNA) where: Base-Base interactions energy: -1130.425 where: short stacking energy: -483.247 Base-Backbone interact. energy: -0.962 local terms energy: -517.170774 where: bonds (distance) C4'-P energy: -94.098 bonds (distance) P-C4' energy: -90.699 flat angles C4'-P-C4' energy: -110.941 flat angles P-C4'-P energy: -75.946 tors. eta vs tors. theta energy: -145.487 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: 8 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1618.881753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.881753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.881753 (E_RNA) where: Base-Base interactions energy: -1118.007 where: short stacking energy: -493.050 Base-Backbone interact. energy: -1.700 local terms energy: -499.174987 where: bonds (distance) C4'-P energy: -93.132 bonds (distance) P-C4' energy: -90.018 flat angles C4'-P-C4' energy: -104.457 flat angles P-C4'-P energy: -63.139 tors. eta vs tors. theta energy: -148.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1491.799604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.799604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.799604 (E_RNA) where: Base-Base interactions energy: -1036.212 where: short stacking energy: -424.763 Base-Backbone interact. energy: -1.582 local terms energy: -454.005621 where: bonds (distance) C4'-P energy: -84.768 bonds (distance) P-C4' energy: -93.310 flat angles C4'-P-C4' energy: -95.556 flat angles P-C4'-P energy: -72.193 tors. eta vs tors. theta energy: -108.180 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: 297 Temperature: 1.100000 Total energy: -1449.918796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.918796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.918796 (E_RNA) where: Base-Base interactions energy: -995.216 where: short stacking energy: -423.750 Base-Backbone interact. energy: -1.471 local terms energy: -453.231954 where: bonds (distance) C4'-P energy: -79.850 bonds (distance) P-C4' energy: -85.297 flat angles C4'-P-C4' energy: -98.015 flat angles P-C4'-P energy: -74.803 tors. eta vs tors. theta energy: -115.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1339.977073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.977073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.977073 (E_RNA) where: Base-Base interactions energy: -912.385 where: short stacking energy: -363.375 Base-Backbone interact. energy: 3.672 local terms energy: -431.264595 where: bonds (distance) C4'-P energy: -95.797 bonds (distance) P-C4' energy: -87.685 flat angles C4'-P-C4' energy: -95.337 flat angles P-C4'-P energy: -47.925 tors. eta vs tors. theta energy: -104.521 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: 5 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1032.478808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.478808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.478808 (E_RNA) where: Base-Base interactions energy: -643.985 where: short stacking energy: -308.252 Base-Backbone interact. energy: -1.966 local terms energy: -386.527761 where: bonds (distance) C4'-P energy: -89.687 bonds (distance) P-C4' energy: -89.115 flat angles C4'-P-C4' energy: -90.700 flat angles P-C4'-P energy: -44.302 tors. eta vs tors. theta energy: -72.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -891.407804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.407804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.407804 (E_RNA) where: Base-Base interactions energy: -546.804 where: short stacking energy: -260.121 Base-Backbone interact. energy: -0.374 local terms energy: -344.229269 where: bonds (distance) C4'-P energy: -80.658 bonds (distance) P-C4' energy: -87.084 flat angles C4'-P-C4' energy: -86.797 flat angles P-C4'-P energy: -47.324 tors. eta vs tors. theta energy: -42.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -718.938483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.938483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.938483 (E_RNA) where: Base-Base interactions energy: -407.561 where: short stacking energy: -219.082 Base-Backbone interact. energy: -1.842 local terms energy: -309.535738 where: bonds (distance) C4'-P energy: -88.129 bonds (distance) P-C4' energy: -74.752 flat angles C4'-P-C4' energy: -83.355 flat angles P-C4'-P energy: -34.118 tors. eta vs tors. theta energy: -29.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -384.127929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.127929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.127929 (E_RNA) where: Base-Base interactions energy: -137.789 where: short stacking energy: -117.087 Base-Backbone interact. energy: -1.980 local terms energy: -244.359424 where: bonds (distance) C4'-P energy: -62.866 bonds (distance) P-C4' energy: -89.101 flat angles C4'-P-C4' energy: -70.275 flat angles P-C4'-P energy: -38.751 tors. eta vs tors. theta energy: 16.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1726.875992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.875992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.875992 (E_RNA) where: Base-Base interactions energy: -1189.184 where: short stacking energy: -547.948 Base-Backbone interact. energy: -1.480 local terms energy: -536.212122 where: bonds (distance) C4'-P energy: -95.624 bonds (distance) P-C4' energy: -96.011 flat angles C4'-P-C4' energy: -109.787 flat angles P-C4'-P energy: -72.193 tors. eta vs tors. theta energy: -162.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1674.327183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.327183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.327183 (E_RNA) where: Base-Base interactions energy: -1178.568 where: short stacking energy: -509.082 Base-Backbone interact. energy: -2.999 local terms energy: -492.759616 where: bonds (distance) C4'-P energy: -86.793 bonds (distance) P-C4' energy: -80.781 flat angles C4'-P-C4' energy: -101.163 flat angles P-C4'-P energy: -76.647 tors. eta vs tors. theta energy: -147.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1639.108788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.108788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.108788 (E_RNA) where: Base-Base interactions energy: -1113.073 where: short stacking energy: -493.084 Base-Backbone interact. energy: -3.117 local terms energy: -522.919452 where: bonds (distance) C4'-P energy: -95.222 bonds (distance) P-C4' energy: -93.657 flat angles C4'-P-C4' energy: -110.582 flat angles P-C4'-P energy: -71.362 tors. eta vs tors. theta energy: -152.096 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: 4 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1474.419678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.419678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.419678 (E_RNA) where: Base-Base interactions energy: -1031.394 where: short stacking energy: -436.033 Base-Backbone interact. energy: -1.091 local terms energy: -441.934474 where: bonds (distance) C4'-P energy: -85.137 bonds (distance) P-C4' energy: -87.318 flat angles C4'-P-C4' energy: -91.248 flat angles P-C4'-P energy: -63.894 tors. eta vs tors. theta energy: -114.337 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: 5, replica: 7 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -1429.373049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.373049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.373049 (E_RNA) where: Base-Base interactions energy: -962.810 where: short stacking energy: -408.057 Base-Backbone interact. energy: -3.832 local terms energy: -462.730909 where: bonds (distance) C4'-P energy: -92.270 bonds (distance) P-C4' energy: -88.843 flat angles C4'-P-C4' energy: -106.543 flat angles P-C4'-P energy: -58.258 tors. eta vs tors. theta energy: -116.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1349.272981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.272981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.272981 (E_RNA) where: Base-Base interactions energy: -896.149 where: short stacking energy: -366.544 Base-Backbone interact. energy: -3.386 local terms energy: -449.737690 where: bonds (distance) C4'-P energy: -95.176 bonds (distance) P-C4' energy: -90.337 flat angles C4'-P-C4' energy: -98.194 flat angles P-C4'-P energy: -65.095 tors. eta vs tors. theta energy: -100.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1074.694941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.694941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.694941 (E_RNA) where: Base-Base interactions energy: -728.291 where: short stacking energy: -314.763 Base-Backbone interact. energy: -1.362 local terms energy: -345.042445 where: bonds (distance) C4'-P energy: -76.425 bonds (distance) P-C4' energy: -80.065 flat angles C4'-P-C4' energy: -66.845 flat angles P-C4'-P energy: -53.010 tors. eta vs tors. theta energy: -68.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -891.073416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.073416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.073416 (E_RNA) where: Base-Base interactions energy: -535.281 where: short stacking energy: -255.407 Base-Backbone interact. energy: 1.779 local terms energy: -357.570950 where: bonds (distance) C4'-P energy: -77.115 bonds (distance) P-C4' energy: -91.512 flat angles C4'-P-C4' energy: -88.537 flat angles P-C4'-P energy: -53.119 tors. eta vs tors. theta energy: -47.288 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: 9 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -746.247471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.247471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.247471 (E_RNA) where: Base-Base interactions energy: -469.774 where: short stacking energy: -187.350 Base-Backbone interact. energy: -0.001 local terms energy: -276.472013 where: bonds (distance) C4'-P energy: -78.863 bonds (distance) P-C4' energy: -78.894 flat angles C4'-P-C4' energy: -70.784 flat angles P-C4'-P energy: -30.789 tors. eta vs tors. theta energy: -17.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -381.189672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.189672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.189672 (E_RNA) where: Base-Base interactions energy: -140.567 where: short stacking energy: -115.359 Base-Backbone interact. energy: -0.742 local terms energy: -239.880645 where: bonds (distance) C4'-P energy: -87.282 bonds (distance) P-C4' energy: -69.479 flat angles C4'-P-C4' energy: -61.855 flat angles P-C4'-P energy: -42.191 tors. eta vs tors. theta energy: 20.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1727.789746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.789746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.789746 (E_RNA) where: Base-Base interactions energy: -1190.127 where: short stacking energy: -535.254 Base-Backbone interact. energy: 0.036 local terms energy: -537.698858 where: bonds (distance) C4'-P energy: -92.228 bonds (distance) P-C4' energy: -94.551 flat angles C4'-P-C4' energy: -117.136 flat angles P-C4'-P energy: -73.487 tors. eta vs tors. theta energy: -160.297 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: 299 Temperature: 0.950000 Total energy: -1654.369092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.369092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.369092 (E_RNA) where: Base-Base interactions energy: -1121.175 where: short stacking energy: -490.864 Base-Backbone interact. energy: -3.262 local terms energy: -529.931298 where: bonds (distance) C4'-P energy: -95.830 bonds (distance) P-C4' energy: -94.066 flat angles C4'-P-C4' energy: -110.895 flat angles P-C4'-P energy: -77.977 tors. eta vs tors. theta energy: -151.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1605.332444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.332444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.332444 (E_RNA) where: Base-Base interactions energy: -1107.344 where: short stacking energy: -464.825 Base-Backbone interact. energy: -1.852 local terms energy: -496.136353 where: bonds (distance) C4'-P energy: -95.565 bonds (distance) P-C4' energy: -99.958 flat angles C4'-P-C4' energy: -101.084 flat angles P-C4'-P energy: -58.881 tors. eta vs tors. theta energy: -140.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1480.501396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.501396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.501396 (E_RNA) where: Base-Base interactions energy: -1029.576 where: short stacking energy: -434.021 Base-Backbone interact. energy: 0.196 local terms energy: -451.121586 where: bonds (distance) C4'-P energy: -69.342 bonds (distance) P-C4' energy: -101.523 flat angles C4'-P-C4' energy: -99.527 flat angles P-C4'-P energy: -61.801 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: 5, replica: 7 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1381.853996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.853996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.853996 (E_RNA) where: Base-Base interactions energy: -939.195 where: short stacking energy: -394.629 Base-Backbone interact. energy: -2.139 local terms energy: -440.519609 where: bonds (distance) C4'-P energy: -85.402 bonds (distance) P-C4' energy: -89.642 flat angles C4'-P-C4' energy: -90.249 flat angles P-C4'-P energy: -57.944 tors. eta vs tors. theta energy: -117.284 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: 299 Temperature: 1.150000 Total energy: -1373.040476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.040476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.040476 (E_RNA) where: Base-Base interactions energy: -944.480 where: short stacking energy: -385.595 Base-Backbone interact. energy: -2.452 local terms energy: -426.107733 where: bonds (distance) C4'-P energy: -85.252 bonds (distance) P-C4' energy: -79.831 flat angles C4'-P-C4' energy: -99.307 flat angles P-C4'-P energy: -59.158 tors. eta vs tors. theta energy: -102.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1039.649596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.649596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.649596 (E_RNA) where: Base-Base interactions energy: -650.702 where: short stacking energy: -291.643 Base-Backbone interact. energy: 0.580 local terms energy: -389.527475 where: bonds (distance) C4'-P energy: -88.568 bonds (distance) P-C4' energy: -83.498 flat angles C4'-P-C4' energy: -88.729 flat angles P-C4'-P energy: -59.037 tors. eta vs tors. theta energy: -69.695 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: 8, replica: 1 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -885.506745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.506745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.506745 (E_RNA) where: Base-Base interactions energy: -577.647 where: short stacking energy: -263.649 Base-Backbone interact. energy: 2.751 local terms energy: -310.609955 where: bonds (distance) C4'-P energy: -69.159 bonds (distance) P-C4' energy: -79.220 flat angles C4'-P-C4' energy: -74.424 flat angles P-C4'-P energy: -50.688 tors. eta vs tors. theta energy: -37.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -714.704442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.704442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.704442 (E_RNA) where: Base-Base interactions energy: -427.919 where: short stacking energy: -204.226 Base-Backbone interact. energy: -0.551 local terms energy: -286.234681 where: bonds (distance) C4'-P energy: -74.420 bonds (distance) P-C4' energy: -77.813 flat angles C4'-P-C4' energy: -72.867 flat angles P-C4'-P energy: -41.742 tors. eta vs tors. theta energy: -19.392 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: 10, replica: 3 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -423.968956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.968956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.968956 (E_RNA) where: Base-Base interactions energy: -154.019 where: short stacking energy: -119.071 Base-Backbone interact. energy: -0.062 local terms energy: -269.887720 where: bonds (distance) C4'-P energy: -82.531 bonds (distance) P-C4' energy: -84.257 flat angles C4'-P-C4' energy: -74.984 flat angles P-C4'-P energy: -38.479 tors. eta vs tors. theta energy: 10.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1743.088758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.088758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.088758 (E_RNA) where: Base-Base interactions energy: -1211.364 where: short stacking energy: -534.938 Base-Backbone interact. energy: -1.459 local terms energy: -530.266186 where: bonds (distance) C4'-P energy: -91.630 bonds (distance) P-C4' energy: -93.058 flat angles C4'-P-C4' energy: -112.642 flat angles P-C4'-P energy: -70.991 tors. eta vs tors. theta energy: -161.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1649.859679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.859679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.859679 (E_RNA) where: Base-Base interactions energy: -1144.961 where: short stacking energy: -492.549 Base-Backbone interact. energy: -1.481 local terms energy: -503.417038 where: bonds (distance) C4'-P energy: -84.575 bonds (distance) P-C4' energy: -92.638 flat angles C4'-P-C4' energy: -111.691 flat angles P-C4'-P energy: -71.860 tors. eta vs tors. theta energy: -142.654 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: 2 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1598.008223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.008223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.008223 (E_RNA) where: Base-Base interactions energy: -1105.763 where: short stacking energy: -475.909 Base-Backbone interact. energy: -1.319 local terms energy: -490.925974 where: bonds (distance) C4'-P energy: -83.947 bonds (distance) P-C4' energy: -98.020 flat angles C4'-P-C4' energy: -103.329 flat angles P-C4'-P energy: -67.685 tors. eta vs tors. theta energy: -137.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1444.650908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.650908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.650908 (E_RNA) where: Base-Base interactions energy: -1017.078 where: short stacking energy: -406.807 Base-Backbone interact. energy: -2.145 local terms energy: -425.428385 where: bonds (distance) C4'-P energy: -82.659 bonds (distance) P-C4' energy: -92.676 flat angles C4'-P-C4' energy: -97.105 flat angles P-C4'-P energy: -46.443 tors. eta vs tors. theta energy: -106.545 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: 7 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1409.848094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.848094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.848094 (E_RNA) where: Base-Base interactions energy: -959.492 where: short stacking energy: -407.994 Base-Backbone interact. energy: -1.286 local terms energy: -449.070282 where: bonds (distance) C4'-P energy: -94.050 bonds (distance) P-C4' energy: -80.591 flat angles C4'-P-C4' energy: -93.952 flat angles P-C4'-P energy: -59.275 tors. eta vs tors. theta energy: -121.203 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: 10 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -1325.043170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.043170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.043170 (E_RNA) where: Base-Base interactions energy: -877.043 where: short stacking energy: -388.343 Base-Backbone interact. energy: -2.427 local terms energy: -445.572755 where: bonds (distance) C4'-P energy: -84.296 bonds (distance) P-C4' energy: -82.243 flat angles C4'-P-C4' energy: -99.066 flat angles P-C4'-P energy: -69.561 tors. eta vs tors. theta energy: -110.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1025.783146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.783146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.783146 (E_RNA) where: Base-Base interactions energy: -677.514 where: short stacking energy: -298.780 Base-Backbone interact. energy: 2.953 local terms energy: -351.222242 where: bonds (distance) C4'-P energy: -80.632 bonds (distance) P-C4' energy: -81.709 flat angles C4'-P-C4' energy: -85.360 flat angles P-C4'-P energy: -46.263 tors. eta vs tors. theta energy: -57.258 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: 300 Temperature: 1.250000 Total energy: -917.368763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.368763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.368763 (E_RNA) where: Base-Base interactions energy: -593.607 where: short stacking energy: -297.164 Base-Backbone interact. energy: -0.870 local terms energy: -322.891977 where: bonds (distance) C4'-P energy: -70.067 bonds (distance) P-C4' energy: -66.162 flat angles C4'-P-C4' energy: -71.281 flat angles P-C4'-P energy: -50.085 tors. eta vs tors. theta energy: -65.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -731.482645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.482645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.482645 (E_RNA) where: Base-Base interactions energy: -404.345 where: short stacking energy: -204.968 Base-Backbone interact. energy: -0.600 local terms energy: -326.537717 where: bonds (distance) C4'-P energy: -85.479 bonds (distance) P-C4' energy: -85.044 flat angles C4'-P-C4' energy: -78.633 flat angles P-C4'-P energy: -46.697 tors. eta vs tors. theta energy: -30.685 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: 3 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -486.874630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.874630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.874630 (E_RNA) where: Base-Base interactions energy: -204.147 where: short stacking energy: -167.302 Base-Backbone interact. energy: -3.132 local terms energy: -279.596084 where: bonds (distance) C4'-P energy: -74.235 bonds (distance) P-C4' energy: -68.776 flat angles C4'-P-C4' energy: -86.964 flat angles P-C4'-P energy: -39.809 tors. eta vs tors. theta energy: -9.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1739.101635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.101635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.101635 (E_RNA) where: Base-Base interactions energy: -1208.061 where: short stacking energy: -533.198 Base-Backbone interact. energy: -2.586 local terms energy: -528.455088 where: bonds (distance) C4'-P energy: -94.331 bonds (distance) P-C4' energy: -98.484 flat angles C4'-P-C4' energy: -106.818 flat angles P-C4'-P energy: -70.927 tors. eta vs tors. theta energy: -157.896 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: 2, replica: 8 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1647.333782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.333782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.333782 (E_RNA) where: Base-Base interactions energy: -1138.675 where: short stacking energy: -495.316 Base-Backbone interact. energy: -0.256 local terms energy: -508.402898 where: bonds (distance) C4'-P energy: -94.744 bonds (distance) P-C4' energy: -89.329 flat angles C4'-P-C4' energy: -100.573 flat angles P-C4'-P energy: -78.365 tors. eta vs tors. theta energy: -145.392 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: 3, replica: 2 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1577.317697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.317697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.317697 (E_RNA) where: Base-Base interactions energy: -1072.932 where: short stacking energy: -480.905 Base-Backbone interact. energy: -3.386 local terms energy: -500.999327 where: bonds (distance) C4'-P energy: -95.925 bonds (distance) P-C4' energy: -88.478 flat angles C4'-P-C4' energy: -103.257 flat angles P-C4'-P energy: -73.491 tors. eta vs tors. theta energy: -139.848 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: 4, replica: 4 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1457.854441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.854441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.854441 (E_RNA) where: Base-Base interactions energy: -1008.139 where: short stacking energy: -428.447 Base-Backbone interact. energy: -4.901 local terms energy: -444.814305 where: bonds (distance) C4'-P energy: -79.439 bonds (distance) P-C4' energy: -87.489 flat angles C4'-P-C4' energy: -100.578 flat angles P-C4'-P energy: -67.345 tors. eta vs tors. theta energy: -109.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1389.028077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.028077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.028077 (E_RNA) where: Base-Base interactions energy: -922.447 where: short stacking energy: -398.562 Base-Backbone interact. energy: -1.469 local terms energy: -465.111878 where: bonds (distance) C4'-P energy: -100.303 bonds (distance) P-C4' energy: -84.457 flat angles C4'-P-C4' energy: -96.384 flat angles P-C4'-P energy: -64.811 tors. eta vs tors. theta energy: -119.157 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: 301 Temperature: 1.150000 Total energy: -1358.504980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.504980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.504980 (E_RNA) where: Base-Base interactions energy: -952.794 where: short stacking energy: -393.539 Base-Backbone interact. energy: -2.618 local terms energy: -403.093196 where: bonds (distance) C4'-P energy: -70.508 bonds (distance) P-C4' energy: -80.755 flat angles C4'-P-C4' energy: -91.580 flat angles P-C4'-P energy: -42.980 tors. eta vs tors. theta energy: -117.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1023.150167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.150167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.150167 (E_RNA) where: Base-Base interactions energy: -649.824 where: short stacking energy: -300.482 Base-Backbone interact. energy: 2.513 local terms energy: -375.838622 where: bonds (distance) C4'-P energy: -102.257 bonds (distance) P-C4' energy: -80.167 flat angles C4'-P-C4' energy: -81.290 flat angles P-C4'-P energy: -53.912 tors. eta vs tors. theta energy: -58.212 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: 1 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -899.857313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.857313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.857313 (E_RNA) where: Base-Base interactions energy: -535.941 where: short stacking energy: -284.412 Base-Backbone interact. energy: -1.277 local terms energy: -362.639812 where: bonds (distance) C4'-P energy: -76.662 bonds (distance) P-C4' energy: -92.755 flat angles C4'-P-C4' energy: -94.522 flat angles P-C4'-P energy: -47.158 tors. eta vs tors. theta energy: -51.543 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: 9 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -732.752549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.752549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.752549 (E_RNA) where: Base-Base interactions energy: -424.146 where: short stacking energy: -226.802 Base-Backbone interact. energy: -1.085 local terms energy: -307.521058 where: bonds (distance) C4'-P energy: -86.618 bonds (distance) P-C4' energy: -81.316 flat angles C4'-P-C4' energy: -72.109 flat angles P-C4'-P energy: -35.010 tors. eta vs tors. theta energy: -32.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -468.422673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.422673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.422673 (E_RNA) where: Base-Base interactions energy: -214.817 where: short stacking energy: -136.475 Base-Backbone interact. energy: -2.249 local terms energy: -251.356327 where: bonds (distance) C4'-P energy: -75.629 bonds (distance) P-C4' energy: -78.558 flat angles C4'-P-C4' energy: -73.882 flat angles P-C4'-P energy: -40.892 tors. eta vs tors. theta energy: 17.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1748.565351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.565351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.565351 (E_RNA) where: Base-Base interactions energy: -1184.506 where: short stacking energy: -541.060 Base-Backbone interact. energy: -1.638 local terms energy: -562.421381 where: bonds (distance) C4'-P energy: -103.989 bonds (distance) P-C4' energy: -91.948 flat angles C4'-P-C4' energy: -115.550 flat angles P-C4'-P energy: -86.953 tors. eta vs tors. theta energy: -163.982 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: 8 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1634.809258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.809258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.809258 (E_RNA) where: Base-Base interactions energy: -1119.951 where: short stacking energy: -477.128 Base-Backbone interact. energy: -2.753 local terms energy: -512.105181 where: bonds (distance) C4'-P energy: -85.526 bonds (distance) P-C4' energy: -96.432 flat angles C4'-P-C4' energy: -109.041 flat angles P-C4'-P energy: -81.691 tors. eta vs tors. theta energy: -139.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1557.705158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.705158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.705158 (E_RNA) where: Base-Base interactions energy: -1067.185 where: short stacking energy: -472.111 Base-Backbone interact. energy: -1.892 local terms energy: -488.628254 where: bonds (distance) C4'-P energy: -84.444 bonds (distance) P-C4' energy: -101.707 flat angles C4'-P-C4' energy: -107.154 flat angles P-C4'-P energy: -67.617 tors. eta vs tors. theta energy: -127.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1447.581017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.581017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.581017 (E_RNA) where: Base-Base interactions energy: -1017.938 where: short stacking energy: -425.504 Base-Backbone interact. energy: -1.759 local terms energy: -427.884786 where: bonds (distance) C4'-P energy: -78.685 bonds (distance) P-C4' energy: -93.044 flat angles C4'-P-C4' energy: -93.102 flat angles P-C4'-P energy: -64.345 tors. eta vs tors. theta energy: -98.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1421.026126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.026126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.026126 (E_RNA) where: Base-Base interactions energy: -953.753 where: short stacking energy: -427.445 Base-Backbone interact. energy: -1.193 local terms energy: -466.079893 where: bonds (distance) C4'-P energy: -91.352 bonds (distance) P-C4' energy: -76.470 flat angles C4'-P-C4' energy: -107.245 flat angles P-C4'-P energy: -62.445 tors. eta vs tors. theta energy: -128.568 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: 302 Temperature: 1.150000 Total energy: -1336.986787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.986787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.986787 (E_RNA) where: Base-Base interactions energy: -915.985 where: short stacking energy: -386.156 Base-Backbone interact. energy: -1.452 local terms energy: -419.550050 where: bonds (distance) C4'-P energy: -81.028 bonds (distance) P-C4' energy: -85.381 flat angles C4'-P-C4' energy: -82.146 flat angles P-C4'-P energy: -58.388 tors. eta vs tors. theta energy: -112.608 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: 7, replica: 5 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1099.864866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.864866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.864866 (E_RNA) where: Base-Base interactions energy: -723.838 where: short stacking energy: -308.245 Base-Backbone interact. energy: -2.323 local terms energy: -373.704260 where: bonds (distance) C4'-P energy: -88.699 bonds (distance) P-C4' energy: -82.538 flat angles C4'-P-C4' energy: -82.066 flat angles P-C4'-P energy: -50.327 tors. eta vs tors. theta energy: -70.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -863.300368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.300368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.300368 (E_RNA) where: Base-Base interactions energy: -539.066 where: short stacking energy: -255.374 Base-Backbone interact. energy: -2.243 local terms energy: -321.992242 where: bonds (distance) C4'-P energy: -78.412 bonds (distance) P-C4' energy: -76.175 flat angles C4'-P-C4' energy: -67.827 flat angles P-C4'-P energy: -57.700 tors. eta vs tors. theta energy: -41.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -751.391073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.391073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.391073 (E_RNA) where: Base-Base interactions energy: -444.754 where: short stacking energy: -214.697 Base-Backbone interact. energy: -1.098 local terms energy: -305.538982 where: bonds (distance) C4'-P energy: -64.388 bonds (distance) P-C4' energy: -78.341 flat angles C4'-P-C4' energy: -89.246 flat angles P-C4'-P energy: -56.206 tors. eta vs tors. theta energy: -17.358 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: 3 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -382.498728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.498728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.498728 (E_RNA) where: Base-Base interactions energy: -140.042 where: short stacking energy: -126.002 Base-Backbone interact. energy: -1.886 local terms energy: -240.570722 where: bonds (distance) C4'-P energy: -81.132 bonds (distance) P-C4' energy: -75.626 flat angles C4'-P-C4' energy: -53.787 flat angles P-C4'-P energy: -40.738 tors. eta vs tors. theta energy: 10.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1748.691325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.691325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.691325 (E_RNA) where: Base-Base interactions energy: -1201.040 where: short stacking energy: -536.240 Base-Backbone interact. energy: -0.165 local terms energy: -547.486845 where: bonds (distance) C4'-P energy: -91.328 bonds (distance) P-C4' energy: -97.754 flat angles C4'-P-C4' energy: -114.503 flat angles P-C4'-P energy: -83.148 tors. eta vs tors. theta energy: -160.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1687.833509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.833509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.833509 (E_RNA) where: Base-Base interactions energy: -1171.890 where: short stacking energy: -497.617 Base-Backbone interact. energy: -2.850 local terms energy: -513.093333 where: bonds (distance) C4'-P energy: -99.371 bonds (distance) P-C4' energy: -94.328 flat angles C4'-P-C4' energy: -105.547 flat angles P-C4'-P energy: -74.662 tors. eta vs tors. theta energy: -139.185 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: 3, replica: 2 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1581.911679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.911679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.911679 (E_RNA) where: Base-Base interactions energy: -1124.155 where: short stacking energy: -474.878 Base-Backbone interact. energy: -1.854 local terms energy: -455.902833 where: bonds (distance) C4'-P energy: -83.724 bonds (distance) P-C4' energy: -79.011 flat angles C4'-P-C4' energy: -99.531 flat angles P-C4'-P energy: -58.111 tors. eta vs tors. theta energy: -135.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1441.197585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.197585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.197585 (E_RNA) where: Base-Base interactions energy: -982.973 where: short stacking energy: -424.854 Base-Backbone interact. energy: -2.173 local terms energy: -456.051720 where: bonds (distance) C4'-P energy: -79.151 bonds (distance) P-C4' energy: -99.096 flat angles C4'-P-C4' energy: -95.946 flat angles P-C4'-P energy: -69.150 tors. eta vs tors. theta energy: -112.709 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: 7 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -1397.151470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.151470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.151470 (E_RNA) where: Base-Base interactions energy: -919.515 where: short stacking energy: -391.269 Base-Backbone interact. energy: -1.090 local terms energy: -476.546705 where: bonds (distance) C4'-P energy: -101.500 bonds (distance) P-C4' energy: -89.816 flat angles C4'-P-C4' energy: -97.799 flat angles P-C4'-P energy: -73.531 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: 6, replica: 10 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1368.851047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.851047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.851047 (E_RNA) where: Base-Base interactions energy: -946.474 where: short stacking energy: -417.120 Base-Backbone interact. energy: -1.199 local terms energy: -421.177434 where: bonds (distance) C4'-P energy: -83.211 bonds (distance) P-C4' energy: -79.931 flat angles C4'-P-C4' energy: -98.109 flat angles P-C4'-P energy: -48.478 tors. eta vs tors. theta energy: -111.448 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: 5 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1087.591507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.591507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.591507 (E_RNA) where: Base-Base interactions energy: -716.762 where: short stacking energy: -325.753 Base-Backbone interact. energy: -0.305 local terms energy: -370.524238 where: bonds (distance) C4'-P energy: -64.338 bonds (distance) P-C4' energy: -88.418 flat angles C4'-P-C4' energy: -83.709 flat angles P-C4'-P energy: -51.683 tors. eta vs tors. theta energy: -82.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -823.873924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.873924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.873924 (E_RNA) where: Base-Base interactions energy: -490.334 where: short stacking energy: -277.126 Base-Backbone interact. energy: 1.382 local terms energy: -334.922377 where: bonds (distance) C4'-P energy: -85.953 bonds (distance) P-C4' energy: -86.622 flat angles C4'-P-C4' energy: -64.042 flat angles P-C4'-P energy: -36.087 tors. eta vs tors. theta energy: -62.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -747.793454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.793454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.793454 (E_RNA) where: Base-Base interactions energy: -440.323 where: short stacking energy: -226.585 Base-Backbone interact. energy: 2.807 local terms energy: -310.277328 where: bonds (distance) C4'-P energy: -91.241 bonds (distance) P-C4' energy: -66.820 flat angles C4'-P-C4' energy: -77.147 flat angles P-C4'-P energy: -44.106 tors. eta vs tors. theta energy: -30.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -398.793818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.793818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.793818 (E_RNA) where: Base-Base interactions energy: -153.624 where: short stacking energy: -112.901 Base-Backbone interact. energy: 6.146 local terms energy: -251.315451 where: bonds (distance) C4'-P energy: -75.192 bonds (distance) P-C4' energy: -92.921 flat angles C4'-P-C4' energy: -52.851 flat angles P-C4'-P energy: -45.104 tors. eta vs tors. theta energy: 14.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1728.438542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.438542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.438542 (E_RNA) where: Base-Base interactions energy: -1187.277 where: short stacking energy: -527.066 Base-Backbone interact. energy: -0.106 local terms energy: -541.055981 where: bonds (distance) C4'-P energy: -91.448 bonds (distance) P-C4' energy: -96.805 flat angles C4'-P-C4' energy: -118.103 flat angles P-C4'-P energy: -73.933 tors. eta vs tors. theta energy: -160.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1676.458615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.458615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.458615 (E_RNA) where: Base-Base interactions energy: -1155.215 where: short stacking energy: -488.324 Base-Backbone interact. energy: -2.335 local terms energy: -518.909521 where: bonds (distance) C4'-P energy: -89.719 bonds (distance) P-C4' energy: -102.664 flat angles C4'-P-C4' energy: -106.270 flat angles P-C4'-P energy: -76.279 tors. eta vs tors. theta energy: -143.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1587.265163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.265163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.265163 (E_RNA) where: Base-Base interactions energy: -1098.301 where: short stacking energy: -478.360 Base-Backbone interact. energy: -1.840 local terms energy: -487.123518 where: bonds (distance) C4'-P energy: -72.733 bonds (distance) P-C4' energy: -99.731 flat angles C4'-P-C4' energy: -105.036 flat angles P-C4'-P energy: -62.653 tors. eta vs tors. theta energy: -146.971 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: 304 Temperature: 1.050000 Total energy: -1385.655537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.655537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.655537 (E_RNA) where: Base-Base interactions energy: -966.461 where: short stacking energy: -403.847 Base-Backbone interact. energy: 2.027 local terms energy: -421.222332 where: bonds (distance) C4'-P energy: -82.147 bonds (distance) P-C4' energy: -85.530 flat angles C4'-P-C4' energy: -87.094 flat angles P-C4'-P energy: -68.634 tors. eta vs tors. theta energy: -97.819 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: 7 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1386.927343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.927343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.927343 (E_RNA) where: Base-Base interactions energy: -959.563 where: short stacking energy: -431.871 Base-Backbone interact. energy: 0.049 local terms energy: -427.412680 where: bonds (distance) C4'-P energy: -84.728 bonds (distance) P-C4' energy: -74.541 flat angles C4'-P-C4' energy: -94.469 flat angles P-C4'-P energy: -50.051 tors. eta vs tors. theta energy: -123.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1261.020411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.020411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.020411 (E_RNA) where: Base-Base interactions energy: -860.079 where: short stacking energy: -364.752 Base-Backbone interact. energy: -0.161 local terms energy: -400.780959 where: bonds (distance) C4'-P energy: -70.908 bonds (distance) P-C4' energy: -85.479 flat angles C4'-P-C4' energy: -84.620 flat angles P-C4'-P energy: -63.576 tors. eta vs tors. theta energy: -96.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1121.311598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.311598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.311598 (E_RNA) where: Base-Base interactions energy: -736.686 where: short stacking energy: -302.153 Base-Backbone interact. energy: -4.224 local terms energy: -380.401607 where: bonds (distance) C4'-P energy: -74.215 bonds (distance) P-C4' energy: -90.277 flat angles C4'-P-C4' energy: -87.395 flat angles P-C4'-P energy: -58.686 tors. eta vs tors. theta energy: -69.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -809.341565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.341565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.341565 (E_RNA) where: Base-Base interactions energy: -457.240 where: short stacking energy: -220.986 Base-Backbone interact. energy: 2.565 local terms energy: -354.666821 where: bonds (distance) C4'-P energy: -81.429 bonds (distance) P-C4' energy: -95.138 flat angles C4'-P-C4' energy: -87.971 flat angles P-C4'-P energy: -58.312 tors. eta vs tors. theta energy: -31.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -702.656329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.656329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.656329 (E_RNA) where: Base-Base interactions energy: -382.392 where: short stacking energy: -208.370 Base-Backbone interact. energy: 1.710 local terms energy: -321.974383 where: bonds (distance) C4'-P energy: -66.409 bonds (distance) P-C4' energy: -87.564 flat angles C4'-P-C4' energy: -76.191 flat angles P-C4'-P energy: -55.397 tors. eta vs tors. theta energy: -36.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -445.815787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.815787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.815787 (E_RNA) where: Base-Base interactions energy: -193.275 where: short stacking energy: -152.749 Base-Backbone interact. energy: -0.292 local terms energy: -252.248936 where: bonds (distance) C4'-P energy: -78.775 bonds (distance) P-C4' energy: -85.839 flat angles C4'-P-C4' energy: -58.923 flat angles P-C4'-P energy: -34.623 tors. eta vs tors. theta energy: 5.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1752.720413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.720413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.720413 (E_RNA) where: Base-Base interactions energy: -1190.083 where: short stacking energy: -527.300 Base-Backbone interact. energy: -1.520 local terms energy: -561.116923 where: bonds (distance) C4'-P energy: -101.976 bonds (distance) P-C4' energy: -106.170 flat angles C4'-P-C4' energy: -113.562 flat angles P-C4'-P energy: -76.695 tors. eta vs tors. theta energy: -162.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1630.950155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.950155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.950155 (E_RNA) where: Base-Base interactions energy: -1115.699 where: short stacking energy: -495.860 Base-Backbone interact. energy: -0.727 local terms energy: -514.523903 where: bonds (distance) C4'-P energy: -92.725 bonds (distance) P-C4' energy: -93.635 flat angles C4'-P-C4' energy: -112.767 flat angles P-C4'-P energy: -70.223 tors. eta vs tors. theta energy: -145.174 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: 8 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1651.496742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.496742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.496742 (E_RNA) where: Base-Base interactions energy: -1130.961 where: short stacking energy: -485.018 Base-Backbone interact. energy: -0.824 local terms energy: -519.711098 where: bonds (distance) C4'-P energy: -88.533 bonds (distance) P-C4' energy: -103.416 flat angles C4'-P-C4' energy: -108.058 flat angles P-C4'-P energy: -75.846 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: 4, replica: 4 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1399.522412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.522412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.522412 (E_RNA) where: Base-Base interactions energy: -949.995 where: short stacking energy: -406.036 Base-Backbone interact. energy: -3.591 local terms energy: -445.936554 where: bonds (distance) C4'-P energy: -78.248 bonds (distance) P-C4' energy: -89.781 flat angles C4'-P-C4' energy: -100.159 flat angles P-C4'-P energy: -71.614 tors. eta vs tors. theta energy: -106.134 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: 5, replica: 7 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -1405.243669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.243669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.243669 (E_RNA) where: Base-Base interactions energy: -960.904 where: short stacking energy: -396.488 Base-Backbone interact. energy: -1.225 local terms energy: -443.114294 where: bonds (distance) C4'-P energy: -82.007 bonds (distance) P-C4' energy: -90.637 flat angles C4'-P-C4' energy: -88.949 flat angles P-C4'-P energy: -52.087 tors. eta vs tors. theta energy: -129.434 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: 10 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1267.778562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.778562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.778562 (E_RNA) where: Base-Base interactions energy: -881.751 where: short stacking energy: -362.148 Base-Backbone interact. energy: -1.137 local terms energy: -384.890615 where: bonds (distance) C4'-P energy: -66.618 bonds (distance) P-C4' energy: -100.132 flat angles C4'-P-C4' energy: -76.836 flat angles P-C4'-P energy: -48.913 tors. eta vs tors. theta energy: -92.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1107.857943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.857943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.857943 (E_RNA) where: Base-Base interactions energy: -720.676 where: short stacking energy: -318.707 Base-Backbone interact. energy: 0.172 local terms energy: -387.354316 where: bonds (distance) C4'-P energy: -77.011 bonds (distance) P-C4' energy: -87.610 flat angles C4'-P-C4' energy: -94.634 flat angles P-C4'-P energy: -59.152 tors. eta vs tors. theta energy: -68.948 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: 1 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -863.572771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.572771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.572771 (E_RNA) where: Base-Base interactions energy: -497.259 where: short stacking energy: -256.676 Base-Backbone interact. energy: -0.888 local terms energy: -365.426536 where: bonds (distance) C4'-P energy: -69.642 bonds (distance) P-C4' energy: -89.151 flat angles C4'-P-C4' energy: -98.839 flat angles P-C4'-P energy: -52.674 tors. eta vs tors. theta energy: -55.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -779.015359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.015359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.015359 (E_RNA) where: Base-Base interactions energy: -450.187 where: short stacking energy: -234.623 Base-Backbone interact. energy: -1.915 local terms energy: -326.914084 where: bonds (distance) C4'-P energy: -72.035 bonds (distance) P-C4' energy: -81.938 flat angles C4'-P-C4' energy: -80.264 flat angles P-C4'-P energy: -49.250 tors. eta vs tors. theta energy: -43.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -431.337684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.337684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.337684 (E_RNA) where: Base-Base interactions energy: -187.381 where: short stacking energy: -135.755 Base-Backbone interact. energy: 0.384 local terms energy: -244.340165 where: bonds (distance) C4'-P energy: -87.875 bonds (distance) P-C4' energy: -83.254 flat angles C4'-P-C4' energy: -59.784 flat angles P-C4'-P energy: -28.543 tors. eta vs tors. theta energy: 15.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1739.840241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.840241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.840241 (E_RNA) where: Base-Base interactions energy: -1207.654 where: short stacking energy: -547.145 Base-Backbone interact. energy: 1.033 local terms energy: -533.219853 where: bonds (distance) C4'-P energy: -95.421 bonds (distance) P-C4' energy: -99.397 flat angles C4'-P-C4' energy: -111.415 flat angles P-C4'-P energy: -66.805 tors. eta vs tors. theta energy: -160.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1638.503859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.503859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.503859 (E_RNA) where: Base-Base interactions energy: -1117.302 where: short stacking energy: -485.441 Base-Backbone interact. energy: -0.709 local terms energy: -520.492576 where: bonds (distance) C4'-P energy: -98.156 bonds (distance) P-C4' energy: -96.862 flat angles C4'-P-C4' energy: -101.091 flat angles P-C4'-P energy: -76.278 tors. eta vs tors. theta energy: -148.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1650.234933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.234933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.234933 (E_RNA) where: Base-Base interactions energy: -1135.123 where: short stacking energy: -495.041 Base-Backbone interact. energy: -1.128 local terms energy: -513.983361 where: bonds (distance) C4'-P energy: -95.181 bonds (distance) P-C4' energy: -97.228 flat angles C4'-P-C4' energy: -112.853 flat angles P-C4'-P energy: -64.321 tors. eta vs tors. theta energy: -144.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1424.325294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.325294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.325294 (E_RNA) where: Base-Base interactions energy: -991.950 where: short stacking energy: -411.929 Base-Backbone interact. energy: -3.390 local terms energy: -428.985594 where: bonds (distance) C4'-P energy: -76.173 bonds (distance) P-C4' energy: -79.858 flat angles C4'-P-C4' energy: -92.786 flat angles P-C4'-P energy: -73.680 tors. eta vs tors. theta energy: -106.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1400.636266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.636266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.636266 (E_RNA) where: Base-Base interactions energy: -948.855 where: short stacking energy: -400.786 Base-Backbone interact. energy: -4.191 local terms energy: -447.590302 where: bonds (distance) C4'-P energy: -95.537 bonds (distance) P-C4' energy: -70.921 flat angles C4'-P-C4' energy: -93.850 flat angles P-C4'-P energy: -71.280 tors. eta vs tors. theta energy: -116.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1270.881901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.881901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.881901 (E_RNA) where: Base-Base interactions energy: -850.929 where: short stacking energy: -333.578 Base-Backbone interact. energy: -3.933 local terms energy: -416.019783 where: bonds (distance) C4'-P energy: -68.895 bonds (distance) P-C4' energy: -88.425 flat angles C4'-P-C4' energy: -102.890 flat angles P-C4'-P energy: -70.941 tors. eta vs tors. theta energy: -84.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1066.564176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.564176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.564176 (E_RNA) where: Base-Base interactions energy: -695.364 where: short stacking energy: -299.078 Base-Backbone interact. energy: -0.723 local terms energy: -370.476997 where: bonds (distance) C4'-P energy: -90.373 bonds (distance) P-C4' energy: -79.893 flat angles C4'-P-C4' energy: -87.600 flat angles P-C4'-P energy: -48.440 tors. eta vs tors. theta energy: -64.170 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: 8, replica: 1 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -811.314196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.314196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.314196 (E_RNA) where: Base-Base interactions energy: -462.362 where: short stacking energy: -253.112 Base-Backbone interact. energy: -1.122 local terms energy: -347.829963 where: bonds (distance) C4'-P energy: -77.463 bonds (distance) P-C4' energy: -95.122 flat angles C4'-P-C4' energy: -78.806 flat angles P-C4'-P energy: -54.685 tors. eta vs tors. theta energy: -41.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -780.378650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.378650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.378650 (E_RNA) where: Base-Base interactions energy: -468.342 where: short stacking energy: -222.944 Base-Backbone interact. energy: 4.790 local terms energy: -316.826339 where: bonds (distance) C4'-P energy: -83.927 bonds (distance) P-C4' energy: -94.988 flat angles C4'-P-C4' energy: -62.807 flat angles P-C4'-P energy: -38.248 tors. eta vs tors. theta energy: -36.856 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: 3 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -396.024837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.024837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.024837 (E_RNA) where: Base-Base interactions energy: -159.140 where: short stacking energy: -104.840 Base-Backbone interact. energy: -1.032 local terms energy: -235.852810 where: bonds (distance) C4'-P energy: -79.384 bonds (distance) P-C4' energy: -76.654 flat angles C4'-P-C4' energy: -47.919 flat angles P-C4'-P energy: -56.772 tors. eta vs tors. theta energy: 24.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1752.622967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.622967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.622967 (E_RNA) where: Base-Base interactions energy: -1191.875 where: short stacking energy: -535.750 Base-Backbone interact. energy: -1.914 local terms energy: -558.833634 where: bonds (distance) C4'-P energy: -95.268 bonds (distance) P-C4' energy: -91.502 flat angles C4'-P-C4' energy: -118.999 flat angles P-C4'-P energy: -85.730 tors. eta vs tors. theta energy: -167.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1638.846883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.846883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.846883 (E_RNA) where: Base-Base interactions energy: -1119.342 where: short stacking energy: -485.479 Base-Backbone interact. energy: -2.802 local terms energy: -516.702980 where: bonds (distance) C4'-P energy: -91.493 bonds (distance) P-C4' energy: -97.239 flat angles C4'-P-C4' energy: -111.108 flat angles P-C4'-P energy: -70.960 tors. eta vs tors. theta energy: -145.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1659.398935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.398935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.398935 (E_RNA) where: Base-Base interactions energy: -1149.734 where: short stacking energy: -481.138 Base-Backbone interact. energy: -0.351 local terms energy: -509.314057 where: bonds (distance) C4'-P energy: -76.985 bonds (distance) P-C4' energy: -99.805 flat angles C4'-P-C4' energy: -108.780 flat angles P-C4'-P energy: -77.659 tors. eta vs tors. theta energy: -146.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1450.976490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.976490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.976490 (E_RNA) where: Base-Base interactions energy: -1003.726 where: short stacking energy: -432.025 Base-Backbone interact. energy: 4.173 local terms energy: -451.423636 where: bonds (distance) C4'-P energy: -85.242 bonds (distance) P-C4' energy: -90.538 flat angles C4'-P-C4' energy: -94.107 flat angles P-C4'-P energy: -65.554 tors. eta vs tors. theta energy: -115.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1395.284967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.284967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.284967 (E_RNA) where: Base-Base interactions energy: -938.174 where: short stacking energy: -417.513 Base-Backbone interact. energy: 0.003 local terms energy: -457.114011 where: bonds (distance) C4'-P energy: -88.461 bonds (distance) P-C4' energy: -95.723 flat angles C4'-P-C4' energy: -99.670 flat angles P-C4'-P energy: -60.517 tors. eta vs tors. theta energy: -112.744 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: 307 Temperature: 1.150000 Total energy: -1354.601033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.601033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.601033 (E_RNA) where: Base-Base interactions energy: -918.304 where: short stacking energy: -384.545 Base-Backbone interact. energy: -0.738 local terms energy: -435.559036 where: bonds (distance) C4'-P energy: -90.177 bonds (distance) P-C4' energy: -91.338 flat angles C4'-P-C4' energy: -102.619 flat angles P-C4'-P energy: -50.032 tors. eta vs tors. theta energy: -101.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1081.325673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.325673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.325673 (E_RNA) where: Base-Base interactions energy: -713.288 where: short stacking energy: -315.990 Base-Backbone interact. energy: -2.370 local terms energy: -365.667701 where: bonds (distance) C4'-P energy: -80.663 bonds (distance) P-C4' energy: -83.096 flat angles C4'-P-C4' energy: -77.580 flat angles P-C4'-P energy: -59.936 tors. eta vs tors. theta energy: -64.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -795.318029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.318029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.318029 (E_RNA) where: Base-Base interactions energy: -481.808 where: short stacking energy: -250.199 Base-Backbone interact. energy: -3.412 local terms energy: -310.097550 where: bonds (distance) C4'-P energy: -83.531 bonds (distance) P-C4' energy: -83.492 flat angles C4'-P-C4' energy: -78.420 flat angles P-C4'-P energy: -33.760 tors. eta vs tors. theta energy: -30.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -799.380624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.380624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.380624 (E_RNA) where: Base-Base interactions energy: -480.900 where: short stacking energy: -248.012 Base-Backbone interact. energy: -0.613 local terms energy: -317.868162 where: bonds (distance) C4'-P energy: -80.610 bonds (distance) P-C4' energy: -60.691 flat angles C4'-P-C4' energy: -92.679 flat angles P-C4'-P energy: -58.947 tors. eta vs tors. theta energy: -24.941 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: 10, replica: 3 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -402.569462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.569462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.569462 (E_RNA) where: Base-Base interactions energy: -126.412 where: short stacking energy: -101.859 Base-Backbone interact. energy: -0.326 local terms energy: -275.831680 where: bonds (distance) C4'-P energy: -87.376 bonds (distance) P-C4' energy: -87.786 flat angles C4'-P-C4' energy: -66.111 flat angles P-C4'-P energy: -43.135 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: 6 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1751.382257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.382257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.382257 (E_RNA) where: Base-Base interactions energy: -1183.916 where: short stacking energy: -535.241 Base-Backbone interact. energy: -0.739 local terms energy: -566.728153 where: bonds (distance) C4'-P energy: -99.365 bonds (distance) P-C4' energy: -103.919 flat angles C4'-P-C4' energy: -117.027 flat angles P-C4'-P energy: -77.038 tors. eta vs tors. theta energy: -169.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1635.968010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.968010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.968010 (E_RNA) where: Base-Base interactions energy: -1132.973 where: short stacking energy: -490.926 Base-Backbone interact. energy: -0.075 local terms energy: -502.919711 where: bonds (distance) C4'-P energy: -96.456 bonds (distance) P-C4' energy: -91.382 flat angles C4'-P-C4' energy: -100.988 flat angles P-C4'-P energy: -77.641 tors. eta vs tors. theta energy: -136.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1647.561204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.561204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.561204 (E_RNA) where: Base-Base interactions energy: -1154.574 where: short stacking energy: -498.963 Base-Backbone interact. energy: -1.793 local terms energy: -491.194551 where: bonds (distance) C4'-P energy: -82.115 bonds (distance) P-C4' energy: -88.961 flat angles C4'-P-C4' energy: -114.362 flat angles P-C4'-P energy: -66.490 tors. eta vs tors. theta energy: -139.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1459.989137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.989137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.989137 (E_RNA) where: Base-Base interactions energy: -1003.972 where: short stacking energy: -409.494 Base-Backbone interact. energy: -0.856 local terms energy: -455.160246 where: bonds (distance) C4'-P energy: -85.048 bonds (distance) P-C4' energy: -98.540 flat angles C4'-P-C4' energy: -90.303 flat angles P-C4'-P energy: -61.809 tors. eta vs tors. theta energy: -119.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -1394.712961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.712961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.712961 (E_RNA) where: Base-Base interactions energy: -949.422 where: short stacking energy: -435.721 Base-Backbone interact. energy: -0.801 local terms energy: -444.490065 where: bonds (distance) C4'-P energy: -82.314 bonds (distance) P-C4' energy: -89.236 flat angles C4'-P-C4' energy: -94.402 flat angles P-C4'-P energy: -43.392 tors. eta vs tors. theta energy: -135.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1367.294270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.294270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.294270 (E_RNA) where: Base-Base interactions energy: -970.575 where: short stacking energy: -399.223 Base-Backbone interact. energy: 8.332 local terms energy: -405.050754 where: bonds (distance) C4'-P energy: -86.298 bonds (distance) P-C4' energy: -87.852 flat angles C4'-P-C4' energy: -87.566 flat angles P-C4'-P energy: -43.522 tors. eta vs tors. theta energy: -99.813 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: 5 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1092.502858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.502858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.502858 (E_RNA) where: Base-Base interactions energy: -729.143 where: short stacking energy: -325.164 Base-Backbone interact. energy: 2.636 local terms energy: -365.995852 where: bonds (distance) C4'-P energy: -81.416 bonds (distance) P-C4' energy: -82.095 flat angles C4'-P-C4' energy: -82.163 flat angles P-C4'-P energy: -50.567 tors. eta vs tors. theta energy: -69.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -788.481761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.481761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.481761 (E_RNA) where: Base-Base interactions energy: -461.823 where: short stacking energy: -232.040 Base-Backbone interact. energy: -0.281 local terms energy: -326.377944 where: bonds (distance) C4'-P energy: -65.049 bonds (distance) P-C4' energy: -88.524 flat angles C4'-P-C4' energy: -89.696 flat angles P-C4'-P energy: -39.681 tors. eta vs tors. theta energy: -43.428 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: 1 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -769.613691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.613691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.613691 (E_RNA) where: Base-Base interactions energy: -458.821 where: short stacking energy: -220.075 Base-Backbone interact. energy: 0.185 local terms energy: -310.977393 where: bonds (distance) C4'-P energy: -86.835 bonds (distance) P-C4' energy: -83.459 flat angles C4'-P-C4' energy: -70.441 flat angles P-C4'-P energy: -33.106 tors. eta vs tors. theta energy: -37.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -424.075380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.075380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.075380 (E_RNA) where: Base-Base interactions energy: -155.912 where: short stacking energy: -113.101 Base-Backbone interact. energy: -0.277 local terms energy: -267.886050 where: bonds (distance) C4'-P energy: -80.856 bonds (distance) P-C4' energy: -84.970 flat angles C4'-P-C4' energy: -68.458 flat angles P-C4'-P energy: -36.710 tors. eta vs tors. theta energy: 3.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1750.833058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.833058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.833058 (E_RNA) where: Base-Base interactions energy: -1170.267 where: short stacking energy: -537.698 Base-Backbone interact. energy: -0.957 local terms energy: -579.609059 where: bonds (distance) C4'-P energy: -108.522 bonds (distance) P-C4' energy: -104.584 flat angles C4'-P-C4' energy: -116.291 flat angles P-C4'-P energy: -79.849 tors. eta vs tors. theta energy: -170.362 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: 2 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1611.569596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.569596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.569596 (E_RNA) where: Base-Base interactions energy: -1107.713 where: short stacking energy: -477.489 Base-Backbone interact. energy: -1.594 local terms energy: -502.262605 where: bonds (distance) C4'-P energy: -86.779 bonds (distance) P-C4' energy: -97.270 flat angles C4'-P-C4' energy: -106.258 flat angles P-C4'-P energy: -70.485 tors. eta vs tors. theta energy: -141.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1647.025829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.025829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.025829 (E_RNA) where: Base-Base interactions energy: -1126.555 where: short stacking energy: -495.002 Base-Backbone interact. energy: -1.825 local terms energy: -518.646170 where: bonds (distance) C4'-P energy: -88.750 bonds (distance) P-C4' energy: -86.660 flat angles C4'-P-C4' energy: -111.463 flat angles P-C4'-P energy: -84.244 tors. eta vs tors. theta energy: -147.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1467.354774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.354774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.354774 (E_RNA) where: Base-Base interactions energy: -1007.017 where: short stacking energy: -409.552 Base-Backbone interact. energy: -2.512 local terms energy: -457.826024 where: bonds (distance) C4'-P energy: -89.504 bonds (distance) P-C4' energy: -89.046 flat angles C4'-P-C4' energy: -106.745 flat angles P-C4'-P energy: -61.355 tors. eta vs tors. theta energy: -111.175 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: 7 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -1417.602553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.602553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.602553 (E_RNA) where: Base-Base interactions energy: -968.928 where: short stacking energy: -417.799 Base-Backbone interact. energy: -3.160 local terms energy: -445.514838 where: bonds (distance) C4'-P energy: -79.626 bonds (distance) P-C4' energy: -92.471 flat angles C4'-P-C4' energy: -92.750 flat angles P-C4'-P energy: -59.382 tors. eta vs tors. theta energy: -121.285 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: 10 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1317.046378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.046378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.046378 (E_RNA) where: Base-Base interactions energy: -910.563 where: short stacking energy: -378.921 Base-Backbone interact. energy: 4.718 local terms energy: -411.201071 where: bonds (distance) C4'-P energy: -82.745 bonds (distance) P-C4' energy: -89.503 flat angles C4'-P-C4' energy: -98.231 flat angles P-C4'-P energy: -51.270 tors. eta vs tors. theta energy: -89.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1041.759804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.759804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.759804 (E_RNA) where: Base-Base interactions energy: -655.885 where: short stacking energy: -307.973 Base-Backbone interact. energy: -2.975 local terms energy: -382.899073 where: bonds (distance) C4'-P energy: -79.369 bonds (distance) P-C4' energy: -94.127 flat angles C4'-P-C4' energy: -82.073 flat angles P-C4'-P energy: -60.114 tors. eta vs tors. theta energy: -67.216 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: 9 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -823.558229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.558229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.558229 (E_RNA) where: Base-Base interactions energy: -500.916 where: short stacking energy: -253.096 Base-Backbone interact. energy: -0.357 local terms energy: -322.285816 where: bonds (distance) C4'-P energy: -78.665 bonds (distance) P-C4' energy: -80.340 flat angles C4'-P-C4' energy: -78.457 flat angles P-C4'-P energy: -50.575 tors. eta vs tors. theta energy: -34.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -755.299359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.299359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.299359 (E_RNA) where: Base-Base interactions energy: -445.090 where: short stacking energy: -219.577 Base-Backbone interact. energy: -1.825 local terms energy: -308.384355 where: bonds (distance) C4'-P energy: -77.926 bonds (distance) P-C4' energy: -78.824 flat angles C4'-P-C4' energy: -67.021 flat angles P-C4'-P energy: -44.235 tors. eta vs tors. theta energy: -40.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -418.999593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.999593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.999593 (E_RNA) where: Base-Base interactions energy: -162.034 where: short stacking energy: -120.880 Base-Backbone interact. energy: 1.492 local terms energy: -258.456788 where: bonds (distance) C4'-P energy: -65.721 bonds (distance) P-C4' energy: -83.376 flat angles C4'-P-C4' energy: -57.895 flat angles P-C4'-P energy: -57.362 tors. eta vs tors. theta energy: 5.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1759.896968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.896968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.896968 (E_RNA) where: Base-Base interactions energy: -1206.597 where: short stacking energy: -559.096 Base-Backbone interact. energy: -1.104 local terms energy: -552.196639 where: bonds (distance) C4'-P energy: -87.589 bonds (distance) P-C4' energy: -107.027 flat angles C4'-P-C4' energy: -113.386 flat angles P-C4'-P energy: -73.582 tors. eta vs tors. theta energy: -170.612 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: 310 Temperature: 0.950000 Total energy: -1611.056937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.056937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.056937 (E_RNA) where: Base-Base interactions energy: -1103.125 where: short stacking energy: -472.277 Base-Backbone interact. energy: -1.426 local terms energy: -506.506468 where: bonds (distance) C4'-P energy: -95.658 bonds (distance) P-C4' energy: -102.273 flat angles C4'-P-C4' energy: -102.568 flat angles P-C4'-P energy: -61.391 tors. eta vs tors. theta energy: -144.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1623.029920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.029920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.029920 (E_RNA) where: Base-Base interactions energy: -1120.043 where: short stacking energy: -485.209 Base-Backbone interact. energy: -3.626 local terms energy: -499.360546 where: bonds (distance) C4'-P energy: -88.689 bonds (distance) P-C4' energy: -90.449 flat angles C4'-P-C4' energy: -106.615 flat angles P-C4'-P energy: -67.537 tors. eta vs tors. theta energy: -146.071 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: 4, replica: 4 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1463.655663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.655663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.655663 (E_RNA) where: Base-Base interactions energy: -996.952 where: short stacking energy: -426.927 Base-Backbone interact. energy: 1.340 local terms energy: -468.043446 where: bonds (distance) C4'-P energy: -88.682 bonds (distance) P-C4' energy: -89.586 flat angles C4'-P-C4' energy: -98.294 flat angles P-C4'-P energy: -72.484 tors. eta vs tors. theta energy: -118.998 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: 7 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -1391.774890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.774890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.774890 (E_RNA) where: Base-Base interactions energy: -954.363 where: short stacking energy: -415.058 Base-Backbone interact. energy: 2.482 local terms energy: -439.893187 where: bonds (distance) C4'-P energy: -82.616 bonds (distance) P-C4' energy: -88.390 flat angles C4'-P-C4' energy: -97.009 flat angles P-C4'-P energy: -57.450 tors. eta vs tors. theta energy: -114.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1302.803584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.803584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.803584 (E_RNA) where: Base-Base interactions energy: -909.433 where: short stacking energy: -364.636 Base-Backbone interact. energy: -1.334 local terms energy: -392.036162 where: bonds (distance) C4'-P energy: -77.254 bonds (distance) P-C4' energy: -82.539 flat angles C4'-P-C4' energy: -86.535 flat angles P-C4'-P energy: -57.944 tors. eta vs tors. theta energy: -87.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1059.813184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.813184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.813184 (E_RNA) where: Base-Base interactions energy: -718.742 where: short stacking energy: -305.749 Base-Backbone interact. energy: 4.346 local terms energy: -345.416676 where: bonds (distance) C4'-P energy: -85.877 bonds (distance) P-C4' energy: -79.290 flat angles C4'-P-C4' energy: -75.791 flat angles P-C4'-P energy: -45.073 tors. eta vs tors. theta energy: -59.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -836.972087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.972087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.972087 (E_RNA) where: Base-Base interactions energy: -500.658 where: short stacking energy: -247.114 Base-Backbone interact. energy: 1.693 local terms energy: -338.007194 where: bonds (distance) C4'-P energy: -74.178 bonds (distance) P-C4' energy: -91.351 flat angles C4'-P-C4' energy: -88.213 flat angles P-C4'-P energy: -43.862 tors. eta vs tors. theta energy: -40.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -720.232484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.232484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.232484 (E_RNA) where: Base-Base interactions energy: -436.149 where: short stacking energy: -190.665 Base-Backbone interact. energy: 0.078 local terms energy: -284.161674 where: bonds (distance) C4'-P energy: -66.151 bonds (distance) P-C4' energy: -87.900 flat angles C4'-P-C4' energy: -78.609 flat angles P-C4'-P energy: -46.013 tors. eta vs tors. theta energy: -5.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -426.572782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.572782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.572782 (E_RNA) where: Base-Base interactions energy: -153.109 where: short stacking energy: -113.440 Base-Backbone interact. energy: 3.144 local terms energy: -276.607045 where: bonds (distance) C4'-P energy: -81.725 bonds (distance) P-C4' energy: -86.703 flat angles C4'-P-C4' energy: -73.292 flat angles P-C4'-P energy: -50.741 tors. eta vs tors. theta energy: 15.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1737.735164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.735164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.735164 (E_RNA) where: Base-Base interactions energy: -1197.060 where: short stacking energy: -529.717 Base-Backbone interact. energy: -1.811 local terms energy: -538.864269 where: bonds (distance) C4'-P energy: -100.306 bonds (distance) P-C4' energy: -97.097 flat angles C4'-P-C4' energy: -112.473 flat angles P-C4'-P energy: -69.078 tors. eta vs tors. theta energy: -159.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1632.739663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.739663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.739663 (E_RNA) where: Base-Base interactions energy: -1123.319 where: short stacking energy: -492.666 Base-Backbone interact. energy: -0.446 local terms energy: -508.974289 where: bonds (distance) C4'-P energy: -98.806 bonds (distance) P-C4' energy: -105.049 flat angles C4'-P-C4' energy: -104.601 flat angles P-C4'-P energy: -58.795 tors. eta vs tors. theta energy: -141.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1629.491478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.491478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.491478 (E_RNA) where: Base-Base interactions energy: -1137.087 where: short stacking energy: -489.476 Base-Backbone interact. energy: -4.322 local terms energy: -488.082261 where: bonds (distance) C4'-P energy: -80.247 bonds (distance) P-C4' energy: -91.967 flat angles C4'-P-C4' energy: -101.536 flat angles P-C4'-P energy: -67.584 tors. eta vs tors. theta energy: -146.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1465.320474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.320474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.320474 (E_RNA) where: Base-Base interactions energy: -1004.368 where: short stacking energy: -432.750 Base-Backbone interact. energy: -0.946 local terms energy: -460.006092 where: bonds (distance) C4'-P energy: -95.410 bonds (distance) P-C4' energy: -85.388 flat angles C4'-P-C4' energy: -91.652 flat angles P-C4'-P energy: -66.389 tors. eta vs tors. theta energy: -121.167 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: 7 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1383.832047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.832047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.832047 (E_RNA) where: Base-Base interactions energy: -939.782 where: short stacking energy: -407.348 Base-Backbone interact. energy: -2.622 local terms energy: -441.428613 where: bonds (distance) C4'-P energy: -88.049 bonds (distance) P-C4' energy: -89.075 flat angles C4'-P-C4' energy: -92.147 flat angles P-C4'-P energy: -58.909 tors. eta vs tors. theta energy: -113.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1345.749254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.749254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.749254 (E_RNA) where: Base-Base interactions energy: -924.019 where: short stacking energy: -403.069 Base-Backbone interact. energy: 2.732 local terms energy: -424.461825 where: bonds (distance) C4'-P energy: -83.677 bonds (distance) P-C4' energy: -79.169 flat angles C4'-P-C4' energy: -103.976 flat angles P-C4'-P energy: -59.982 tors. eta vs tors. theta energy: -97.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1066.110277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.110277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.110277 (E_RNA) where: Base-Base interactions energy: -718.875 where: short stacking energy: -309.604 Base-Backbone interact. energy: -1.771 local terms energy: -345.464782 where: bonds (distance) C4'-P energy: -66.485 bonds (distance) P-C4' energy: -88.619 flat angles C4'-P-C4' energy: -80.214 flat angles P-C4'-P energy: -52.745 tors. eta vs tors. theta energy: -57.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -894.623166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.623166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.623166 (E_RNA) where: Base-Base interactions energy: -535.750 where: short stacking energy: -272.551 Base-Backbone interact. energy: 0.585 local terms energy: -359.458144 where: bonds (distance) C4'-P energy: -81.587 bonds (distance) P-C4' energy: -85.822 flat angles C4'-P-C4' energy: -89.709 flat angles P-C4'-P energy: -40.781 tors. eta vs tors. theta energy: -61.558 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: 311 Temperature: 1.300000 Total energy: -738.316228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.316228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.316228 (E_RNA) where: Base-Base interactions energy: -427.230 where: short stacking energy: -208.688 Base-Backbone interact. energy: -0.772 local terms energy: -310.313380 where: bonds (distance) C4'-P energy: -73.890 bonds (distance) P-C4' energy: -72.611 flat angles C4'-P-C4' energy: -77.697 flat angles P-C4'-P energy: -50.123 tors. eta vs tors. theta energy: -35.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -447.788714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.788714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.788714 (E_RNA) where: Base-Base interactions energy: -191.949 where: short stacking energy: -122.247 Base-Backbone interact. energy: -0.799 local terms energy: -255.039884 where: bonds (distance) C4'-P energy: -82.219 bonds (distance) P-C4' energy: -73.784 flat angles C4'-P-C4' energy: -71.212 flat angles P-C4'-P energy: -40.300 tors. eta vs tors. theta energy: 12.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1728.105804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.105804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.105804 (E_RNA) where: Base-Base interactions energy: -1198.609 where: short stacking energy: -530.036 Base-Backbone interact. energy: 0.618 local terms energy: -530.115432 where: bonds (distance) C4'-P energy: -99.946 bonds (distance) P-C4' energy: -99.784 flat angles C4'-P-C4' energy: -107.254 flat angles P-C4'-P energy: -69.104 tors. eta vs tors. theta energy: -154.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1648.134750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.134750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.134750 (E_RNA) where: Base-Base interactions energy: -1138.557 where: short stacking energy: -480.651 Base-Backbone interact. energy: -0.610 local terms energy: -508.968079 where: bonds (distance) C4'-P energy: -91.848 bonds (distance) P-C4' energy: -90.621 flat angles C4'-P-C4' energy: -113.579 flat angles P-C4'-P energy: -67.459 tors. eta vs tors. theta energy: -145.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1632.385213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.385213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.385213 (E_RNA) where: Base-Base interactions energy: -1106.420 where: short stacking energy: -479.209 Base-Backbone interact. energy: -2.134 local terms energy: -523.831660 where: bonds (distance) C4'-P energy: -100.335 bonds (distance) P-C4' energy: -93.476 flat angles C4'-P-C4' energy: -108.890 flat angles P-C4'-P energy: -75.345 tors. eta vs tors. theta energy: -145.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1490.575760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.575760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.575760 (E_RNA) where: Base-Base interactions energy: -1032.412 where: short stacking energy: -436.134 Base-Backbone interact. energy: -3.495 local terms energy: -454.668364 where: bonds (distance) C4'-P energy: -94.913 bonds (distance) P-C4' energy: -80.141 flat angles C4'-P-C4' energy: -102.825 flat angles P-C4'-P energy: -61.292 tors. eta vs tors. theta energy: -115.497 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: 10 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1381.219239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.219239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.219239 (E_RNA) where: Base-Base interactions energy: -954.876 where: short stacking energy: -383.712 Base-Backbone interact. energy: -0.178 local terms energy: -426.165265 where: bonds (distance) C4'-P energy: -87.666 bonds (distance) P-C4' energy: -90.080 flat angles C4'-P-C4' energy: -100.781 flat angles P-C4'-P energy: -48.709 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: 7 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1367.401378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.401378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.401378 (E_RNA) where: Base-Base interactions energy: -940.432 where: short stacking energy: -413.313 Base-Backbone interact. energy: -1.924 local terms energy: -425.045197 where: bonds (distance) C4'-P energy: -73.341 bonds (distance) P-C4' energy: -94.072 flat angles C4'-P-C4' energy: -84.956 flat angles P-C4'-P energy: -60.935 tors. eta vs tors. theta energy: -111.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1123.289533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.289533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.289533 (E_RNA) where: Base-Base interactions energy: -738.536 where: short stacking energy: -337.614 Base-Backbone interact. energy: -1.311 local terms energy: -383.442896 where: bonds (distance) C4'-P energy: -82.927 bonds (distance) P-C4' energy: -75.157 flat angles C4'-P-C4' energy: -88.747 flat angles P-C4'-P energy: -53.426 tors. eta vs tors. theta energy: -83.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -881.256601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.256601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.256601 (E_RNA) where: Base-Base interactions energy: -519.950 where: short stacking energy: -273.629 Base-Backbone interact. energy: 3.247 local terms energy: -364.553520 where: bonds (distance) C4'-P energy: -89.702 bonds (distance) P-C4' energy: -88.396 flat angles C4'-P-C4' energy: -78.509 flat angles P-C4'-P energy: -53.257 tors. eta vs tors. theta energy: -54.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -808.253042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.253042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.253042 (E_RNA) where: Base-Base interactions energy: -480.493 where: short stacking energy: -258.058 Base-Backbone interact. energy: -0.265 local terms energy: -327.495179 where: bonds (distance) C4'-P energy: -73.085 bonds (distance) P-C4' energy: -77.989 flat angles C4'-P-C4' energy: -96.428 flat angles P-C4'-P energy: -47.588 tors. eta vs tors. theta energy: -32.405 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: 10, replica: 3 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -492.359937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.359937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.359937 (E_RNA) where: Base-Base interactions energy: -218.701 where: short stacking energy: -150.866 Base-Backbone interact. energy: 1.766 local terms energy: -275.424623 where: bonds (distance) C4'-P energy: -78.051 bonds (distance) P-C4' energy: -84.420 flat angles C4'-P-C4' energy: -68.003 flat angles P-C4'-P energy: -36.388 tors. eta vs tors. theta energy: -8.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1778.169170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.169170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.169170 (E_RNA) where: Base-Base interactions energy: -1225.453 where: short stacking energy: -554.377 Base-Backbone interact. energy: -0.287 local terms energy: -552.428655 where: bonds (distance) C4'-P energy: -97.890 bonds (distance) P-C4' energy: -97.925 flat angles C4'-P-C4' energy: -109.569 flat angles P-C4'-P energy: -86.350 tors. eta vs tors. theta energy: -160.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1667.135391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.135391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.135391 (E_RNA) where: Base-Base interactions energy: -1131.717 where: short stacking energy: -483.722 Base-Backbone interact. energy: 1.433 local terms energy: -536.851799 where: bonds (distance) C4'-P energy: -100.233 bonds (distance) P-C4' energy: -91.505 flat angles C4'-P-C4' energy: -116.692 flat angles P-C4'-P energy: -77.568 tors. eta vs tors. theta energy: -150.854 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: 2 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1602.612754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.612754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.612754 (E_RNA) where: Base-Base interactions energy: -1085.406 where: short stacking energy: -456.734 Base-Backbone interact. energy: -2.809 local terms energy: -514.397350 where: bonds (distance) C4'-P energy: -98.442 bonds (distance) P-C4' energy: -98.885 flat angles C4'-P-C4' energy: -105.656 flat angles P-C4'-P energy: -73.986 tors. eta vs tors. theta energy: -137.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1441.583325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.583325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.583325 (E_RNA) where: Base-Base interactions energy: -1018.619 where: short stacking energy: -398.678 Base-Backbone interact. energy: -1.302 local terms energy: -421.662217 where: bonds (distance) C4'-P energy: -73.303 bonds (distance) P-C4' energy: -90.698 flat angles C4'-P-C4' energy: -91.888 flat angles P-C4'-P energy: -68.949 tors. eta vs tors. theta energy: -96.824 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: 4 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1395.813729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.813729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.813729 (E_RNA) where: Base-Base interactions energy: -958.670 where: short stacking energy: -397.882 Base-Backbone interact. energy: -4.430 local terms energy: -432.713110 where: bonds (distance) C4'-P energy: -90.410 bonds (distance) P-C4' energy: -91.169 flat angles C4'-P-C4' energy: -95.218 flat angles P-C4'-P energy: -55.827 tors. eta vs tors. theta energy: -100.090 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: 7 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1368.910426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.910426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.910426 (E_RNA) where: Base-Base interactions energy: -907.573 where: short stacking energy: -385.749 Base-Backbone interact. energy: -1.821 local terms energy: -459.516089 where: bonds (distance) C4'-P energy: -94.570 bonds (distance) P-C4' energy: -91.302 flat angles C4'-P-C4' energy: -90.721 flat angles P-C4'-P energy: -66.831 tors. eta vs tors. theta energy: -116.093 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: 5 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1107.265700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.265700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.265700 (E_RNA) where: Base-Base interactions energy: -728.740 where: short stacking energy: -319.842 Base-Backbone interact. energy: 0.141 local terms energy: -378.667014 where: bonds (distance) C4'-P energy: -77.008 bonds (distance) P-C4' energy: -85.370 flat angles C4'-P-C4' energy: -92.579 flat angles P-C4'-P energy: -41.847 tors. eta vs tors. theta energy: -81.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -816.611499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.611499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.611499 (E_RNA) where: Base-Base interactions energy: -530.190 where: short stacking energy: -251.723 Base-Backbone interact. energy: 3.553 local terms energy: -289.974442 where: bonds (distance) C4'-P energy: -68.909 bonds (distance) P-C4' energy: -77.983 flat angles C4'-P-C4' energy: -64.754 flat angles P-C4'-P energy: -34.477 tors. eta vs tors. theta energy: -43.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -768.461505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.461505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.461505 (E_RNA) where: Base-Base interactions energy: -461.484 where: short stacking energy: -222.933 Base-Backbone interact. energy: -1.602 local terms energy: -305.375397 where: bonds (distance) C4'-P energy: -70.659 bonds (distance) P-C4' energy: -76.753 flat angles C4'-P-C4' energy: -93.148 flat angles P-C4'-P energy: -45.159 tors. eta vs tors. theta energy: -19.656 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: 3 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -465.437878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.437878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.437878 (E_RNA) where: Base-Base interactions energy: -214.248 where: short stacking energy: -123.071 Base-Backbone interact. energy: 1.157 local terms energy: -252.347006 where: bonds (distance) C4'-P energy: -78.705 bonds (distance) P-C4' energy: -85.490 flat angles C4'-P-C4' energy: -63.599 flat angles P-C4'-P energy: -35.302 tors. eta vs tors. theta energy: 10.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1756.741195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.741195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.741195 (E_RNA) where: Base-Base interactions energy: -1199.465 where: short stacking energy: -528.474 Base-Backbone interact. energy: -1.281 local terms energy: -555.994924 where: bonds (distance) C4'-P energy: -94.597 bonds (distance) P-C4' energy: -104.336 flat angles C4'-P-C4' energy: -111.104 flat angles P-C4'-P energy: -80.658 tors. eta vs tors. theta energy: -165.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1668.594389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.594389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.594389 (E_RNA) where: Base-Base interactions energy: -1154.309 where: short stacking energy: -513.613 Base-Backbone interact. energy: -1.461 local terms energy: -512.824494 where: bonds (distance) C4'-P energy: -95.334 bonds (distance) P-C4' energy: -90.761 flat angles C4'-P-C4' energy: -110.969 flat angles P-C4'-P energy: -72.729 tors. eta vs tors. theta energy: -143.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1581.208992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.208992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.208992 (E_RNA) where: Base-Base interactions energy: -1080.883 where: short stacking energy: -485.938 Base-Backbone interact. energy: -2.616 local terms energy: -497.709823 where: bonds (distance) C4'-P energy: -100.058 bonds (distance) P-C4' energy: -77.652 flat angles C4'-P-C4' energy: -110.774 flat angles P-C4'-P energy: -68.097 tors. eta vs tors. theta energy: -141.128 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: 10 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1403.183262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.183262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.183262 (E_RNA) where: Base-Base interactions energy: -961.674 where: short stacking energy: -405.278 Base-Backbone interact. energy: -2.494 local terms energy: -439.015309 where: bonds (distance) C4'-P energy: -76.866 bonds (distance) P-C4' energy: -97.327 flat angles C4'-P-C4' energy: -97.120 flat angles P-C4'-P energy: -63.607 tors. eta vs tors. theta energy: -104.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -1411.622387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.622387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.622387 (E_RNA) where: Base-Base interactions energy: -982.610 where: short stacking energy: -443.931 Base-Backbone interact. energy: -1.708 local terms energy: -427.304316 where: bonds (distance) C4'-P energy: -76.124 bonds (distance) P-C4' energy: -89.749 flat angles C4'-P-C4' energy: -102.997 flat angles P-C4'-P energy: -49.420 tors. eta vs tors. theta energy: -109.015 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: 7 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1370.817283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.817283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.817283 (E_RNA) where: Base-Base interactions energy: -912.185 where: short stacking energy: -411.156 Base-Backbone interact. energy: -1.247 local terms energy: -457.385393 where: bonds (distance) C4'-P energy: -90.902 bonds (distance) P-C4' energy: -83.305 flat angles C4'-P-C4' energy: -107.244 flat angles P-C4'-P energy: -56.910 tors. eta vs tors. theta energy: -119.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1164.076990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.076990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.076990 (E_RNA) where: Base-Base interactions energy: -771.245 where: short stacking energy: -338.070 Base-Backbone interact. energy: -3.087 local terms energy: -389.744913 where: bonds (distance) C4'-P energy: -90.741 bonds (distance) P-C4' energy: -80.213 flat angles C4'-P-C4' energy: -81.092 flat angles P-C4'-P energy: -47.596 tors. eta vs tors. theta energy: -90.102 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: 8, replica: 9 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -855.509025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.509025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.509025 (E_RNA) where: Base-Base interactions energy: -527.627 where: short stacking energy: -266.674 Base-Backbone interact. energy: 0.816 local terms energy: -328.698212 where: bonds (distance) C4'-P energy: -69.415 bonds (distance) P-C4' energy: -83.326 flat angles C4'-P-C4' energy: -75.861 flat angles P-C4'-P energy: -58.391 tors. eta vs tors. theta energy: -41.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -830.102648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.102648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.102648 (E_RNA) where: Base-Base interactions energy: -491.615 where: short stacking energy: -248.475 Base-Backbone interact. energy: 0.249 local terms energy: -338.735817 where: bonds (distance) C4'-P energy: -97.306 bonds (distance) P-C4' energy: -75.402 flat angles C4'-P-C4' energy: -86.101 flat angles P-C4'-P energy: -42.223 tors. eta vs tors. theta energy: -37.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -436.582338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.582338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.582338 (E_RNA) where: Base-Base interactions energy: -200.608 where: short stacking energy: -116.874 Base-Backbone interact. energy: 2.659 local terms energy: -238.633514 where: bonds (distance) C4'-P energy: -70.776 bonds (distance) P-C4' energy: -80.860 flat angles C4'-P-C4' energy: -65.360 flat angles P-C4'-P energy: -39.621 tors. eta vs tors. theta energy: 17.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1735.297464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.297464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.297464 (E_RNA) where: Base-Base interactions energy: -1186.209 where: short stacking energy: -506.410 Base-Backbone interact. energy: -1.871 local terms energy: -547.217355 where: bonds (distance) C4'-P energy: -98.796 bonds (distance) P-C4' energy: -101.063 flat angles C4'-P-C4' energy: -113.054 flat angles P-C4'-P energy: -69.850 tors. eta vs tors. theta energy: -164.454 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: 8 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1648.233628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.233628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.233628 (E_RNA) where: Base-Base interactions energy: -1161.686 where: short stacking energy: -477.762 Base-Backbone interact. energy: -2.287 local terms energy: -484.261080 where: bonds (distance) C4'-P energy: -81.591 bonds (distance) P-C4' energy: -84.603 flat angles C4'-P-C4' energy: -109.330 flat angles P-C4'-P energy: -63.596 tors. eta vs tors. theta energy: -145.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1583.528506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.528506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.528506 (E_RNA) where: Base-Base interactions energy: -1094.639 where: short stacking energy: -448.230 Base-Backbone interact. energy: -1.417 local terms energy: -487.472381 where: bonds (distance) C4'-P energy: -97.419 bonds (distance) P-C4' energy: -84.325 flat angles C4'-P-C4' energy: -103.317 flat angles P-C4'-P energy: -65.799 tors. eta vs tors. theta energy: -136.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1396.538767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.538767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.538767 (E_RNA) where: Base-Base interactions energy: -963.814 where: short stacking energy: -404.008 Base-Backbone interact. energy: -0.945 local terms energy: -431.779520 where: bonds (distance) C4'-P energy: -86.588 bonds (distance) P-C4' energy: -82.526 flat angles C4'-P-C4' energy: -97.916 flat angles P-C4'-P energy: -66.079 tors. eta vs tors. theta energy: -98.669 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: 315 Temperature: 1.100000 Total energy: -1345.614218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.614218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.614218 (E_RNA) where: Base-Base interactions energy: -910.586 where: short stacking energy: -396.010 Base-Backbone interact. energy: -1.433 local terms energy: -433.595220 where: bonds (distance) C4'-P energy: -80.650 bonds (distance) P-C4' energy: -82.481 flat angles C4'-P-C4' energy: -106.096 flat angles P-C4'-P energy: -53.962 tors. eta vs tors. theta energy: -110.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1369.064361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.064361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.064361 (E_RNA) where: Base-Base interactions energy: -913.641 where: short stacking energy: -373.310 Base-Backbone interact. energy: -2.870 local terms energy: -452.554234 where: bonds (distance) C4'-P energy: -91.406 bonds (distance) P-C4' energy: -92.369 flat angles C4'-P-C4' energy: -92.900 flat angles P-C4'-P energy: -58.893 tors. eta vs tors. theta energy: -116.986 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: 7, replica: 5 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1147.265908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.265908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.265908 (E_RNA) where: Base-Base interactions energy: -735.391 where: short stacking energy: -336.519 Base-Backbone interact. energy: -2.273 local terms energy: -409.602514 where: bonds (distance) C4'-P energy: -84.487 bonds (distance) P-C4' energy: -88.475 flat angles C4'-P-C4' energy: -96.826 flat angles P-C4'-P energy: -55.692 tors. eta vs tors. theta energy: -84.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -859.434890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.434890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.434890 (E_RNA) where: Base-Base interactions energy: -509.481 where: short stacking energy: -266.326 Base-Backbone interact. energy: -2.224 local terms energy: -347.730144 where: bonds (distance) C4'-P energy: -75.653 bonds (distance) P-C4' energy: -92.574 flat angles C4'-P-C4' energy: -75.218 flat angles P-C4'-P energy: -48.810 tors. eta vs tors. theta energy: -55.475 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: 9 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -860.840518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.840518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.840518 (E_RNA) where: Base-Base interactions energy: -538.733 where: short stacking energy: -256.451 Base-Backbone interact. energy: 1.240 local terms energy: -323.347328 where: bonds (distance) C4'-P energy: -67.494 bonds (distance) P-C4' energy: -72.399 flat angles C4'-P-C4' energy: -89.725 flat angles P-C4'-P energy: -44.545 tors. eta vs tors. theta energy: -49.184 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: 3 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -442.758811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.758811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.758811 (E_RNA) where: Base-Base interactions energy: -243.425 where: short stacking energy: -151.574 Base-Backbone interact. energy: 5.971 local terms energy: -205.304689 where: bonds (distance) C4'-P energy: -55.667 bonds (distance) P-C4' energy: -73.428 flat angles C4'-P-C4' energy: -61.259 flat angles P-C4'-P energy: -26.747 tors. eta vs tors. theta energy: 11.797 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: 1, replica: 6 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1740.097479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.097479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.097479 (E_RNA) where: Base-Base interactions energy: -1180.054 where: short stacking energy: -518.996 Base-Backbone interact. energy: 0.393 local terms energy: -560.435666 where: bonds (distance) C4'-P energy: -98.747 bonds (distance) P-C4' energy: -100.231 flat angles C4'-P-C4' energy: -122.433 flat angles P-C4'-P energy: -75.164 tors. eta vs tors. theta energy: -163.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1656.249052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.249052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.249052 (E_RNA) where: Base-Base interactions energy: -1135.263 where: short stacking energy: -502.580 Base-Backbone interact. energy: -2.333 local terms energy: -518.652362 where: bonds (distance) C4'-P energy: -89.934 bonds (distance) P-C4' energy: -99.542 flat angles C4'-P-C4' energy: -110.789 flat angles P-C4'-P energy: -73.884 tors. eta vs tors. theta energy: -144.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1599.761621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.761621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.761621 (E_RNA) where: Base-Base interactions energy: -1091.940 where: short stacking energy: -475.580 Base-Backbone interact. energy: -1.703 local terms energy: -506.118861 where: bonds (distance) C4'-P energy: -87.177 bonds (distance) P-C4' energy: -91.627 flat angles C4'-P-C4' energy: -116.790 flat angles P-C4'-P energy: -76.562 tors. eta vs tors. theta energy: -133.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1462.840283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.840283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.840283 (E_RNA) where: Base-Base interactions energy: -979.356 where: short stacking energy: -438.707 Base-Backbone interact. energy: -1.467 local terms energy: -482.017021 where: bonds (distance) C4'-P energy: -85.197 bonds (distance) P-C4' energy: -102.113 flat angles C4'-P-C4' energy: -101.993 flat angles P-C4'-P energy: -72.831 tors. eta vs tors. theta energy: -119.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1402.085607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.085607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.085607 (E_RNA) where: Base-Base interactions energy: -928.617 where: short stacking energy: -405.141 Base-Backbone interact. energy: -4.004 local terms energy: -469.464962 where: bonds (distance) C4'-P energy: -91.464 bonds (distance) P-C4' energy: -83.203 flat angles C4'-P-C4' energy: -113.801 flat angles P-C4'-P energy: -56.456 tors. eta vs tors. theta energy: -124.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1282.719402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.719402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.719402 (E_RNA) where: Base-Base interactions energy: -869.913 where: short stacking energy: -388.715 Base-Backbone interact. energy: 0.949 local terms energy: -413.755149 where: bonds (distance) C4'-P energy: -82.834 bonds (distance) P-C4' energy: -67.116 flat angles C4'-P-C4' energy: -94.754 flat angles P-C4'-P energy: -63.644 tors. eta vs tors. theta energy: -105.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1092.233807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.233807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.233807 (E_RNA) where: Base-Base interactions energy: -721.967 where: short stacking energy: -338.060 Base-Backbone interact. energy: -0.524 local terms energy: -369.743009 where: bonds (distance) C4'-P energy: -67.919 bonds (distance) P-C4' energy: -84.295 flat angles C4'-P-C4' energy: -76.085 flat angles P-C4'-P energy: -60.209 tors. eta vs tors. theta energy: -81.235 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: 1 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -806.517881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.517881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.517881 (E_RNA) where: Base-Base interactions energy: -473.038 where: short stacking energy: -242.981 Base-Backbone interact. energy: -1.920 local terms energy: -331.560744 where: bonds (distance) C4'-P energy: -100.546 bonds (distance) P-C4' energy: -72.323 flat angles C4'-P-C4' energy: -70.497 flat angles P-C4'-P energy: -54.800 tors. eta vs tors. theta energy: -33.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -844.562176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.562176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.562176 (E_RNA) where: Base-Base interactions energy: -498.405 where: short stacking energy: -233.912 Base-Backbone interact. energy: -2.573 local terms energy: -343.584833 where: bonds (distance) C4'-P energy: -96.111 bonds (distance) P-C4' energy: -85.587 flat angles C4'-P-C4' energy: -75.608 flat angles P-C4'-P energy: -39.318 tors. eta vs tors. theta energy: -46.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -405.585311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.585311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.585311 (E_RNA) where: Base-Base interactions energy: -143.989 where: short stacking energy: -126.259 Base-Backbone interact. energy: 4.149 local terms energy: -265.745405 where: bonds (distance) C4'-P energy: -76.840 bonds (distance) P-C4' energy: -89.458 flat angles C4'-P-C4' energy: -66.093 flat angles P-C4'-P energy: -47.141 tors. eta vs tors. theta energy: 13.787 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: 6 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1773.279663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.279663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.279663 (E_RNA) where: Base-Base interactions energy: -1211.925 where: short stacking energy: -556.000 Base-Backbone interact. energy: -0.376 local terms energy: -560.978774 where: bonds (distance) C4'-P energy: -105.787 bonds (distance) P-C4' energy: -84.610 flat angles C4'-P-C4' energy: -123.959 flat angles P-C4'-P energy: -75.461 tors. eta vs tors. theta energy: -171.161 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: 8 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1671.492643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.492643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.492643 (E_RNA) where: Base-Base interactions energy: -1155.429 where: short stacking energy: -502.172 Base-Backbone interact. energy: 2.479 local terms energy: -518.541973 where: bonds (distance) C4'-P energy: -84.626 bonds (distance) P-C4' energy: -97.457 flat angles C4'-P-C4' energy: -106.277 flat angles P-C4'-P energy: -78.609 tors. eta vs tors. theta energy: -151.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1624.220979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.220979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.220979 (E_RNA) where: Base-Base interactions energy: -1127.330 where: short stacking energy: -500.103 Base-Backbone interact. energy: -4.125 local terms energy: -492.766252 where: bonds (distance) C4'-P energy: -86.057 bonds (distance) P-C4' energy: -84.955 flat angles C4'-P-C4' energy: -105.888 flat angles P-C4'-P energy: -75.005 tors. eta vs tors. theta energy: -140.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1449.359509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.359509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.359509 (E_RNA) where: Base-Base interactions energy: -994.962 where: short stacking energy: -453.828 Base-Backbone interact. energy: -1.916 local terms energy: -452.481889 where: bonds (distance) C4'-P energy: -74.913 bonds (distance) P-C4' energy: -98.135 flat angles C4'-P-C4' energy: -91.479 flat angles P-C4'-P energy: -64.931 tors. eta vs tors. theta energy: -123.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1396.664227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.664227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.664227 (E_RNA) where: Base-Base interactions energy: -932.124 where: short stacking energy: -422.963 Base-Backbone interact. energy: -3.688 local terms energy: -460.852637 where: bonds (distance) C4'-P energy: -100.321 bonds (distance) P-C4' energy: -87.283 flat angles C4'-P-C4' energy: -95.371 flat angles P-C4'-P energy: -61.669 tors. eta vs tors. theta energy: -116.210 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: 10 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1306.391102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.391102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.391102 (E_RNA) where: Base-Base interactions energy: -896.480 where: short stacking energy: -403.280 Base-Backbone interact. energy: -1.130 local terms energy: -408.780444 where: bonds (distance) C4'-P energy: -68.455 bonds (distance) P-C4' energy: -81.844 flat angles C4'-P-C4' energy: -98.364 flat angles P-C4'-P energy: -60.776 tors. eta vs tors. theta energy: -99.341 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: 5 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1087.062616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.062616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.062616 (E_RNA) where: Base-Base interactions energy: -699.232 where: short stacking energy: -327.855 Base-Backbone interact. energy: 1.712 local terms energy: -389.543322 where: bonds (distance) C4'-P energy: -78.601 bonds (distance) P-C4' energy: -95.412 flat angles C4'-P-C4' energy: -94.071 flat angles P-C4'-P energy: -56.068 tors. eta vs tors. theta energy: -65.392 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: 9 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -836.406146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.406146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.406146 (E_RNA) where: Base-Base interactions energy: -487.018 where: short stacking energy: -233.782 Base-Backbone interact. energy: 1.800 local terms energy: -351.188608 where: bonds (distance) C4'-P energy: -89.722 bonds (distance) P-C4' energy: -81.694 flat angles C4'-P-C4' energy: -95.702 flat angles P-C4'-P energy: -39.370 tors. eta vs tors. theta energy: -44.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -773.348437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.348437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.348437 (E_RNA) where: Base-Base interactions energy: -455.905 where: short stacking energy: -240.040 Base-Backbone interact. energy: 2.161 local terms energy: -319.604343 where: bonds (distance) C4'-P energy: -78.238 bonds (distance) P-C4' energy: -85.058 flat angles C4'-P-C4' energy: -70.792 flat angles P-C4'-P energy: -60.336 tors. eta vs tors. theta energy: -25.180 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: 3 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -408.627443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.627443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.627443 (E_RNA) where: Base-Base interactions energy: -152.515 where: short stacking energy: -98.647 Base-Backbone interact. energy: -1.967 local terms energy: -254.144927 where: bonds (distance) C4'-P energy: -83.173 bonds (distance) P-C4' energy: -70.936 flat angles C4'-P-C4' energy: -61.408 flat angles P-C4'-P energy: -39.748 tors. eta vs tors. theta energy: 1.120 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: 6 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1743.190038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.190038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.190038 (E_RNA) where: Base-Base interactions energy: -1205.370 where: short stacking energy: -547.477 Base-Backbone interact. energy: 0.352 local terms energy: -538.172047 where: bonds (distance) C4'-P energy: -101.750 bonds (distance) P-C4' energy: -88.910 flat angles C4'-P-C4' energy: -117.778 flat angles P-C4'-P energy: -61.578 tors. eta vs tors. theta energy: -168.156 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: 2, replica: 8 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1656.882329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.882329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.882329 (E_RNA) where: Base-Base interactions energy: -1157.874 where: short stacking energy: -505.061 Base-Backbone interact. energy: -3.278 local terms energy: -495.729447 where: bonds (distance) C4'-P energy: -80.321 bonds (distance) P-C4' energy: -86.993 flat angles C4'-P-C4' energy: -103.943 flat angles P-C4'-P energy: -72.664 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: 3, replica: 2 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1636.735605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.735605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.735605 (E_RNA) where: Base-Base interactions energy: -1146.017 where: short stacking energy: -501.617 Base-Backbone interact. energy: -0.893 local terms energy: -489.825550 where: bonds (distance) C4'-P energy: -82.724 bonds (distance) P-C4' energy: -80.581 flat angles C4'-P-C4' energy: -112.971 flat angles P-C4'-P energy: -71.476 tors. eta vs tors. theta energy: -142.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1436.387643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.387643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.387643 (E_RNA) where: Base-Base interactions energy: -981.011 where: short stacking energy: -419.570 Base-Backbone interact. energy: -3.162 local terms energy: -452.214337 where: bonds (distance) C4'-P energy: -91.416 bonds (distance) P-C4' energy: -80.365 flat angles C4'-P-C4' energy: -103.807 flat angles P-C4'-P energy: -70.955 tors. eta vs tors. theta energy: -105.671 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: 5, replica: 10 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -1326.153362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.153362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.153362 (E_RNA) where: Base-Base interactions energy: -884.072 where: short stacking energy: -373.149 Base-Backbone interact. energy: -1.355 local terms energy: -440.726680 where: bonds (distance) C4'-P energy: -89.708 bonds (distance) P-C4' energy: -89.436 flat angles C4'-P-C4' energy: -99.404 flat angles P-C4'-P energy: -67.652 tors. eta vs tors. theta energy: -94.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1382.849530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.849530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.849530 (E_RNA) where: Base-Base interactions energy: -923.962 where: short stacking energy: -398.890 Base-Backbone interact. energy: -0.557 local terms energy: -458.330729 where: bonds (distance) C4'-P energy: -89.960 bonds (distance) P-C4' energy: -87.292 flat angles C4'-P-C4' energy: -99.455 flat angles P-C4'-P energy: -62.154 tors. eta vs tors. theta energy: -119.471 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: 5 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1095.956211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.956211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.956211 (E_RNA) where: Base-Base interactions energy: -702.827 where: short stacking energy: -319.281 Base-Backbone interact. energy: -2.620 local terms energy: -390.509059 where: bonds (distance) C4'-P energy: -78.729 bonds (distance) P-C4' energy: -82.739 flat angles C4'-P-C4' energy: -98.708 flat angles P-C4'-P energy: -54.955 tors. eta vs tors. theta energy: -75.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -816.864760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.864760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.864760 (E_RNA) where: Base-Base interactions energy: -505.594 where: short stacking energy: -249.660 Base-Backbone interact. energy: 0.273 local terms energy: -311.544109 where: bonds (distance) C4'-P energy: -72.435 bonds (distance) P-C4' energy: -88.024 flat angles C4'-P-C4' energy: -79.997 flat angles P-C4'-P energy: -38.180 tors. eta vs tors. theta energy: -32.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -780.723670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.723670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.723670 (E_RNA) where: Base-Base interactions energy: -454.140 where: short stacking energy: -234.815 Base-Backbone interact. energy: -2.177 local terms energy: -324.407383 where: bonds (distance) C4'-P energy: -71.985 bonds (distance) P-C4' energy: -81.410 flat angles C4'-P-C4' energy: -79.524 flat angles P-C4'-P energy: -52.667 tors. eta vs tors. theta energy: -38.822 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: 3 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -399.153620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.153620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.153620 (E_RNA) where: Base-Base interactions energy: -173.643 where: short stacking energy: -133.502 Base-Backbone interact. energy: -2.298 local terms energy: -223.212517 where: bonds (distance) C4'-P energy: -55.467 bonds (distance) P-C4' energy: -71.390 flat angles C4'-P-C4' energy: -74.375 flat angles P-C4'-P energy: -38.135 tors. eta vs tors. theta energy: 16.155 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: 6 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1722.600422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.600422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.600422 (E_RNA) where: Base-Base interactions energy: -1179.444 where: short stacking energy: -513.944 Base-Backbone interact. energy: -2.284 local terms energy: -540.872302 where: bonds (distance) C4'-P energy: -97.040 bonds (distance) P-C4' energy: -102.504 flat angles C4'-P-C4' energy: -109.852 flat angles P-C4'-P energy: -70.514 tors. eta vs tors. theta energy: -160.961 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: 8 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1662.831824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.831824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.831824 (E_RNA) where: Base-Base interactions energy: -1155.640 where: short stacking energy: -479.014 Base-Backbone interact. energy: 0.268 local terms energy: -507.459895 where: bonds (distance) C4'-P energy: -97.949 bonds (distance) P-C4' energy: -86.156 flat angles C4'-P-C4' energy: -111.555 flat angles P-C4'-P energy: -70.439 tors. eta vs tors. theta energy: -141.362 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: 319 Temperature: 1.000000 Total energy: -1590.105102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.105102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.105102 (E_RNA) where: Base-Base interactions energy: -1093.831 where: short stacking energy: -476.338 Base-Backbone interact. energy: 0.862 local terms energy: -497.136218 where: bonds (distance) C4'-P energy: -96.065 bonds (distance) P-C4' energy: -81.853 flat angles C4'-P-C4' energy: -102.239 flat angles P-C4'-P energy: -85.047 tors. eta vs tors. theta energy: -131.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1399.066658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.066658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.066658 (E_RNA) where: Base-Base interactions energy: -950.454 where: short stacking energy: -430.138 Base-Backbone interact. energy: -2.196 local terms energy: -446.417127 where: bonds (distance) C4'-P energy: -79.729 bonds (distance) P-C4' energy: -81.555 flat angles C4'-P-C4' energy: -105.638 flat angles P-C4'-P energy: -60.169 tors. eta vs tors. theta energy: -119.327 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: 4 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1412.647994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.647994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.647994 (E_RNA) where: Base-Base interactions energy: -964.001 where: short stacking energy: -414.988 Base-Backbone interact. energy: -1.930 local terms energy: -446.716777 where: bonds (distance) C4'-P energy: -80.984 bonds (distance) P-C4' energy: -84.581 flat angles C4'-P-C4' energy: -94.233 flat angles P-C4'-P energy: -76.975 tors. eta vs tors. theta energy: -109.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1353.776542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.776542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.776542 (E_RNA) where: Base-Base interactions energy: -929.703 where: short stacking energy: -388.232 Base-Backbone interact. energy: -1.939 local terms energy: -422.134420 where: bonds (distance) C4'-P energy: -89.776 bonds (distance) P-C4' energy: -64.554 flat angles C4'-P-C4' energy: -96.352 flat angles P-C4'-P energy: -60.874 tors. eta vs tors. theta energy: -110.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1100.075002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.075002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.075002 (E_RNA) where: Base-Base interactions energy: -692.463 where: short stacking energy: -316.481 Base-Backbone interact. energy: -2.782 local terms energy: -404.830610 where: bonds (distance) C4'-P energy: -96.647 bonds (distance) P-C4' energy: -86.985 flat angles C4'-P-C4' energy: -83.372 flat angles P-C4'-P energy: -52.797 tors. eta vs tors. theta energy: -85.029 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: 319 Temperature: 1.250000 Total energy: -788.965985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.965985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.965985 (E_RNA) where: Base-Base interactions energy: -459.049 where: short stacking energy: -232.655 Base-Backbone interact. energy: -0.758 local terms energy: -329.159208 where: bonds (distance) C4'-P energy: -67.225 bonds (distance) P-C4' energy: -87.159 flat angles C4'-P-C4' energy: -77.849 flat angles P-C4'-P energy: -48.679 tors. eta vs tors. theta energy: -48.247 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: 9 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -812.846529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.846529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.846529 (E_RNA) where: Base-Base interactions energy: -512.543 where: short stacking energy: -240.010 Base-Backbone interact. energy: -1.203 local terms energy: -299.101036 where: bonds (distance) C4'-P energy: -79.144 bonds (distance) P-C4' energy: -81.227 flat angles C4'-P-C4' energy: -46.596 flat angles P-C4'-P energy: -53.564 tors. eta vs tors. theta energy: -38.571 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: 3 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -422.313616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.313616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.313616 (E_RNA) where: Base-Base interactions energy: -186.848 where: short stacking energy: -137.680 Base-Backbone interact. energy: -1.015 local terms energy: -234.451331 where: bonds (distance) C4'-P energy: -68.850 bonds (distance) P-C4' energy: -78.853 flat angles C4'-P-C4' energy: -48.868 flat angles P-C4'-P energy: -47.639 tors. eta vs tors. theta energy: 9.759 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: 1, replica: 6 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1747.554966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.554966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.554966 (E_RNA) where: Base-Base interactions energy: -1198.464 where: short stacking energy: -527.712 Base-Backbone interact. energy: 0.604 local terms energy: -549.695053 where: bonds (distance) C4'-P energy: -100.248 bonds (distance) P-C4' energy: -102.749 flat angles C4'-P-C4' energy: -110.978 flat angles P-C4'-P energy: -66.770 tors. eta vs tors. theta energy: -168.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1653.858696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.858696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.858696 (E_RNA) where: Base-Base interactions energy: -1140.145 where: short stacking energy: -491.828 Base-Backbone interact. energy: -6.075 local terms energy: -507.638772 where: bonds (distance) C4'-P energy: -85.421 bonds (distance) P-C4' energy: -100.094 flat angles C4'-P-C4' energy: -101.827 flat angles P-C4'-P energy: -71.239 tors. eta vs tors. theta energy: -149.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1565.400656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.400656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.400656 (E_RNA) where: Base-Base interactions energy: -1057.653 where: short stacking energy: -441.182 Base-Backbone interact. energy: -0.221 local terms energy: -507.527127 where: bonds (distance) C4'-P energy: -104.436 bonds (distance) P-C4' energy: -98.479 flat angles C4'-P-C4' energy: -96.632 flat angles P-C4'-P energy: -77.494 tors. eta vs tors. theta energy: -130.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1413.178199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.178199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.178199 (E_RNA) where: Base-Base interactions energy: -942.668 where: short stacking energy: -411.285 Base-Backbone interact. energy: -2.416 local terms energy: -468.094265 where: bonds (distance) C4'-P energy: -84.828 bonds (distance) P-C4' energy: -97.398 flat angles C4'-P-C4' energy: -102.634 flat angles P-C4'-P energy: -67.211 tors. eta vs tors. theta energy: -116.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1433.993298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.993298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.993298 (E_RNA) where: Base-Base interactions energy: -962.274 where: short stacking energy: -432.663 Base-Backbone interact. energy: -0.958 local terms energy: -470.761565 where: bonds (distance) C4'-P energy: -94.312 bonds (distance) P-C4' energy: -88.829 flat angles C4'-P-C4' energy: -98.766 flat angles P-C4'-P energy: -70.622 tors. eta vs tors. theta energy: -118.233 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: 6, replica: 7 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1325.132927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.132927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.132927 (E_RNA) where: Base-Base interactions energy: -883.055 where: short stacking energy: -383.659 Base-Backbone interact. energy: -2.750 local terms energy: -439.327349 where: bonds (distance) C4'-P energy: -79.546 bonds (distance) P-C4' energy: -91.004 flat angles C4'-P-C4' energy: -99.305 flat angles P-C4'-P energy: -52.639 tors. eta vs tors. theta energy: -116.833 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: 5 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1066.912351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.912351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.912351 (E_RNA) where: Base-Base interactions energy: -671.795 where: short stacking energy: -301.733 Base-Backbone interact. energy: 0.066 local terms energy: -395.183509 where: bonds (distance) C4'-P energy: -88.478 bonds (distance) P-C4' energy: -83.882 flat angles C4'-P-C4' energy: -97.370 flat angles P-C4'-P energy: -69.701 tors. eta vs tors. theta energy: -55.752 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: 320 Temperature: 1.250000 Total energy: -844.369001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.369001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.369001 (E_RNA) where: Base-Base interactions energy: -495.474 where: short stacking energy: -248.104 Base-Backbone interact. energy: -0.126 local terms energy: -348.768628 where: bonds (distance) C4'-P energy: -80.857 bonds (distance) P-C4' energy: -82.497 flat angles C4'-P-C4' energy: -81.397 flat angles P-C4'-P energy: -55.533 tors. eta vs tors. theta energy: -48.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -804.145626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.145626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.145626 (E_RNA) where: Base-Base interactions energy: -475.809 where: short stacking energy: -220.581 Base-Backbone interact. energy: -0.237 local terms energy: -328.099884 where: bonds (distance) C4'-P energy: -76.914 bonds (distance) P-C4' energy: -87.569 flat angles C4'-P-C4' energy: -87.626 flat angles P-C4'-P energy: -49.846 tors. eta vs tors. theta energy: -26.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -466.472014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.472014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.472014 (E_RNA) where: Base-Base interactions energy: -198.577 where: short stacking energy: -105.525 Base-Backbone interact. energy: 0.059 local terms energy: -267.954658 where: bonds (distance) C4'-P energy: -81.803 bonds (distance) P-C4' energy: -78.363 flat angles C4'-P-C4' energy: -67.510 flat angles P-C4'-P energy: -48.488 tors. eta vs tors. theta energy: 8.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1734.018563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.018563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.018563 (E_RNA) where: Base-Base interactions energy: -1173.767 where: short stacking energy: -513.650 Base-Backbone interact. energy: -2.032 local terms energy: -558.219275 where: bonds (distance) C4'-P energy: -111.074 bonds (distance) P-C4' energy: -86.670 flat angles C4'-P-C4' energy: -115.667 flat angles P-C4'-P energy: -76.221 tors. eta vs tors. theta energy: -168.587 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: 8 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1646.350031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.350031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.350031 (E_RNA) where: Base-Base interactions energy: -1133.680 where: short stacking energy: -495.163 Base-Backbone interact. energy: -0.983 local terms energy: -511.686927 where: bonds (distance) C4'-P energy: -98.160 bonds (distance) P-C4' energy: -98.869 flat angles C4'-P-C4' energy: -102.986 flat angles P-C4'-P energy: -74.038 tors. eta vs tors. theta energy: -137.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1575.082267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.082267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.082267 (E_RNA) where: Base-Base interactions energy: -1095.192 where: short stacking energy: -473.280 Base-Backbone interact. energy: -4.397 local terms energy: -475.493227 where: bonds (distance) C4'-P energy: -91.446 bonds (distance) P-C4' energy: -84.264 flat angles C4'-P-C4' energy: -104.677 flat angles P-C4'-P energy: -60.081 tors. eta vs tors. theta energy: -135.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1422.051405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.051405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.051405 (E_RNA) where: Base-Base interactions energy: -982.809 where: short stacking energy: -430.293 Base-Backbone interact. energy: 0.273 local terms energy: -439.516010 where: bonds (distance) C4'-P energy: -71.375 bonds (distance) P-C4' energy: -86.240 flat angles C4'-P-C4' energy: -93.836 flat angles P-C4'-P energy: -66.273 tors. eta vs tors. theta energy: -121.792 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: 321 Temperature: 1.100000 Total energy: -1393.929561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.929561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.929561 (E_RNA) where: Base-Base interactions energy: -937.379 where: short stacking energy: -389.470 Base-Backbone interact. energy: -3.813 local terms energy: -452.737742 where: bonds (distance) C4'-P energy: -83.543 bonds (distance) P-C4' energy: -87.272 flat angles C4'-P-C4' energy: -109.059 flat angles P-C4'-P energy: -61.384 tors. eta vs tors. theta energy: -111.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1324.730835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.730835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.730835 (E_RNA) where: Base-Base interactions energy: -891.600 where: short stacking energy: -375.393 Base-Backbone interact. energy: 0.272 local terms energy: -433.402757 where: bonds (distance) C4'-P energy: -77.482 bonds (distance) P-C4' energy: -93.362 flat angles C4'-P-C4' energy: -100.970 flat angles P-C4'-P energy: -52.403 tors. eta vs tors. theta energy: -109.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1168.079415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.079415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.079415 (E_RNA) where: Base-Base interactions energy: -767.923 where: short stacking energy: -339.299 Base-Backbone interact. energy: 4.915 local terms energy: -405.071230 where: bonds (distance) C4'-P energy: -86.045 bonds (distance) P-C4' energy: -74.512 flat angles C4'-P-C4' energy: -91.463 flat angles P-C4'-P energy: -71.233 tors. eta vs tors. theta energy: -81.819 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: 321 Temperature: 1.250000 Total energy: -856.015711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.015711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.015711 (E_RNA) where: Base-Base interactions energy: -518.294 where: short stacking energy: -249.410 Base-Backbone interact. energy: 1.974 local terms energy: -339.695538 where: bonds (distance) C4'-P energy: -86.475 bonds (distance) P-C4' energy: -83.377 flat angles C4'-P-C4' energy: -71.454 flat angles P-C4'-P energy: -48.529 tors. eta vs tors. theta energy: -49.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -799.545624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.545624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.545624 (E_RNA) where: Base-Base interactions energy: -459.820 where: short stacking energy: -233.684 Base-Backbone interact. energy: 4.230 local terms energy: -343.955097 where: bonds (distance) C4'-P energy: -79.085 bonds (distance) P-C4' energy: -82.982 flat angles C4'-P-C4' energy: -86.164 flat angles P-C4'-P energy: -45.208 tors. eta vs tors. theta energy: -50.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -437.799211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.799211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.799211 (E_RNA) where: Base-Base interactions energy: -215.963 where: short stacking energy: -111.062 Base-Backbone interact. energy: 0.417 local terms energy: -222.252900 where: bonds (distance) C4'-P energy: -77.543 bonds (distance) P-C4' energy: -65.789 flat angles C4'-P-C4' energy: -62.891 flat angles P-C4'-P energy: -35.323 tors. eta vs tors. theta energy: 19.293 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: 1, replica: 6 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1755.830769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.830769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.830769 (E_RNA) where: Base-Base interactions energy: -1209.848 where: short stacking energy: -549.491 Base-Backbone interact. energy: -2.860 local terms energy: -543.122409 where: bonds (distance) C4'-P energy: -84.941 bonds (distance) P-C4' energy: -88.173 flat angles C4'-P-C4' energy: -115.712 flat angles P-C4'-P energy: -86.337 tors. eta vs tors. theta energy: -167.960 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: 8 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1643.989397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.989397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.989397 (E_RNA) where: Base-Base interactions energy: -1145.490 where: short stacking energy: -502.264 Base-Backbone interact. energy: -3.216 local terms energy: -495.283042 where: bonds (distance) C4'-P energy: -82.902 bonds (distance) P-C4' energy: -89.643 flat angles C4'-P-C4' energy: -117.436 flat angles P-C4'-P energy: -56.011 tors. eta vs tors. theta energy: -149.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1561.272325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.272325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.272325 (E_RNA) where: Base-Base interactions energy: -1064.991 where: short stacking energy: -450.478 Base-Backbone interact. energy: -1.944 local terms energy: -494.338065 where: bonds (distance) C4'-P energy: -89.576 bonds (distance) P-C4' energy: -94.275 flat angles C4'-P-C4' energy: -104.830 flat angles P-C4'-P energy: -70.228 tors. eta vs tors. theta energy: -135.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1465.807768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.807768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.807768 (E_RNA) where: Base-Base interactions energy: -990.424 where: short stacking energy: -436.427 Base-Backbone interact. energy: -1.243 local terms energy: -474.140684 where: bonds (distance) C4'-P energy: -93.308 bonds (distance) P-C4' energy: -94.017 flat angles C4'-P-C4' energy: -99.551 flat angles P-C4'-P energy: -67.455 tors. eta vs tors. theta energy: -119.809 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: 4 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1389.768722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.768722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.768722 (E_RNA) where: Base-Base interactions energy: -948.000 where: short stacking energy: -412.005 Base-Backbone interact. energy: -3.736 local terms energy: -438.033085 where: bonds (distance) C4'-P energy: -86.356 bonds (distance) P-C4' energy: -77.995 flat angles C4'-P-C4' energy: -103.876 flat angles P-C4'-P energy: -61.102 tors. eta vs tors. theta energy: -108.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1317.456752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.456752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.456752 (E_RNA) where: Base-Base interactions energy: -903.012 where: short stacking energy: -387.147 Base-Backbone interact. energy: -0.959 local terms energy: -413.485306 where: bonds (distance) C4'-P energy: -72.783 bonds (distance) P-C4' energy: -77.100 flat angles C4'-P-C4' energy: -102.979 flat angles P-C4'-P energy: -58.127 tors. eta vs tors. theta energy: -102.496 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: 5 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1122.143925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.143925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.143925 (E_RNA) where: Base-Base interactions energy: -722.750 where: short stacking energy: -316.971 Base-Backbone interact. energy: 0.124 local terms energy: -399.517612 where: bonds (distance) C4'-P energy: -84.975 bonds (distance) P-C4' energy: -102.614 flat angles C4'-P-C4' energy: -83.247 flat angles P-C4'-P energy: -60.182 tors. eta vs tors. theta energy: -68.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -837.273876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.273876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.273876 (E_RNA) where: Base-Base interactions energy: -508.122 where: short stacking energy: -246.055 Base-Backbone interact. energy: -2.968 local terms energy: -326.183907 where: bonds (distance) C4'-P energy: -69.405 bonds (distance) P-C4' energy: -98.507 flat angles C4'-P-C4' energy: -56.137 flat angles P-C4'-P energy: -60.304 tors. eta vs tors. theta energy: -41.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -778.144272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.144272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.144272 (E_RNA) where: Base-Base interactions energy: -461.100 where: short stacking energy: -225.973 Base-Backbone interact. energy: -0.471 local terms energy: -316.573009 where: bonds (distance) C4'-P energy: -77.749 bonds (distance) P-C4' energy: -70.144 flat angles C4'-P-C4' energy: -87.408 flat angles P-C4'-P energy: -45.150 tors. eta vs tors. theta energy: -36.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -428.399206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.399206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.399206 (E_RNA) where: Base-Base interactions energy: -185.524 where: short stacking energy: -119.343 Base-Backbone interact. energy: -0.625 local terms energy: -242.249446 where: bonds (distance) C4'-P energy: -62.135 bonds (distance) P-C4' energy: -89.785 flat angles C4'-P-C4' energy: -80.946 flat angles P-C4'-P energy: -24.870 tors. eta vs tors. theta energy: 15.487 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: 6 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1746.557303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.557303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.557303 (E_RNA) where: Base-Base interactions energy: -1191.286 where: short stacking energy: -535.240 Base-Backbone interact. energy: 0.052 local terms energy: -555.322782 where: bonds (distance) C4'-P energy: -98.670 bonds (distance) P-C4' energy: -100.398 flat angles C4'-P-C4' energy: -117.261 flat angles P-C4'-P energy: -84.171 tors. eta vs tors. theta energy: -154.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1676.443589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.443589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.443589 (E_RNA) where: Base-Base interactions energy: -1124.451 where: short stacking energy: -502.397 Base-Backbone interact. energy: -1.845 local terms energy: -550.147906 where: bonds (distance) C4'-P energy: -105.528 bonds (distance) P-C4' energy: -98.908 flat angles C4'-P-C4' energy: -105.866 flat angles P-C4'-P energy: -85.394 tors. eta vs tors. theta energy: -154.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -1607.944120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.944120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.944120 (E_RNA) where: Base-Base interactions energy: -1096.349 where: short stacking energy: -469.680 Base-Backbone interact. energy: 2.777 local terms energy: -514.372342 where: bonds (distance) C4'-P energy: -99.303 bonds (distance) P-C4' energy: -91.316 flat angles C4'-P-C4' energy: -110.554 flat angles P-C4'-P energy: -74.257 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: 4, replica: 10 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1438.283350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.283350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.283350 (E_RNA) where: Base-Base interactions energy: -1012.442 where: short stacking energy: -431.425 Base-Backbone interact. energy: -1.576 local terms energy: -424.265370 where: bonds (distance) C4'-P energy: -81.016 bonds (distance) P-C4' energy: -90.764 flat angles C4'-P-C4' energy: -96.655 flat angles P-C4'-P energy: -39.864 tors. eta vs tors. theta energy: -115.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1373.991188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.991188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.991188 (E_RNA) where: Base-Base interactions energy: -933.289 where: short stacking energy: -400.900 Base-Backbone interact. energy: -1.018 local terms energy: -439.684840 where: bonds (distance) C4'-P energy: -69.030 bonds (distance) P-C4' energy: -93.829 flat angles C4'-P-C4' energy: -95.648 flat angles P-C4'-P energy: -72.081 tors. eta vs tors. theta energy: -109.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1323.265854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.265854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.265854 (E_RNA) where: Base-Base interactions energy: -917.342 where: short stacking energy: -405.019 Base-Backbone interact. energy: -1.009 local terms energy: -404.915333 where: bonds (distance) C4'-P energy: -84.968 bonds (distance) P-C4' energy: -77.952 flat angles C4'-P-C4' energy: -82.361 flat angles P-C4'-P energy: -56.614 tors. eta vs tors. theta energy: -103.020 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: 5 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1082.198309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.198309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.198309 (E_RNA) where: Base-Base interactions energy: -704.094 where: short stacking energy: -331.120 Base-Backbone interact. energy: 2.549 local terms energy: -380.653448 where: bonds (distance) C4'-P energy: -78.520 bonds (distance) P-C4' energy: -78.333 flat angles C4'-P-C4' energy: -79.264 flat angles P-C4'-P energy: -62.204 tors. eta vs tors. theta energy: -82.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -849.030941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.030941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.030941 (E_RNA) where: Base-Base interactions energy: -520.310 where: short stacking energy: -233.097 Base-Backbone interact. energy: -2.358 local terms energy: -326.362419 where: bonds (distance) C4'-P energy: -80.481 bonds (distance) P-C4' energy: -72.334 flat angles C4'-P-C4' energy: -89.452 flat angles P-C4'-P energy: -48.025 tors. eta vs tors. theta energy: -36.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -777.722207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.722207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.722207 (E_RNA) where: Base-Base interactions energy: -501.763 where: short stacking energy: -256.402 Base-Backbone interact. energy: -1.562 local terms energy: -274.397670 where: bonds (distance) C4'-P energy: -74.087 bonds (distance) P-C4' energy: -57.592 flat angles C4'-P-C4' energy: -58.386 flat angles P-C4'-P energy: -42.610 tors. eta vs tors. theta energy: -41.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -434.070223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.070223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.070223 (E_RNA) where: Base-Base interactions energy: -182.188 where: short stacking energy: -145.798 Base-Backbone interact. energy: 4.473 local terms energy: -256.355444 where: bonds (distance) C4'-P energy: -90.700 bonds (distance) P-C4' energy: -76.387 flat angles C4'-P-C4' energy: -57.767 flat angles P-C4'-P energy: -37.631 tors. eta vs tors. theta energy: 6.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1746.371728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.371728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.371728 (E_RNA) where: Base-Base interactions energy: -1206.986 where: short stacking energy: -532.145 Base-Backbone interact. energy: -1.085 local terms energy: -538.301052 where: bonds (distance) C4'-P energy: -95.938 bonds (distance) P-C4' energy: -97.329 flat angles C4'-P-C4' energy: -114.340 flat angles P-C4'-P energy: -69.855 tors. eta vs tors. theta energy: -160.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1655.178067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.178067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.178067 (E_RNA) where: Base-Base interactions energy: -1121.235 where: short stacking energy: -499.732 Base-Backbone interact. energy: -4.162 local terms energy: -529.780682 where: bonds (distance) C4'-P energy: -91.588 bonds (distance) P-C4' energy: -96.228 flat angles C4'-P-C4' energy: -111.875 flat angles P-C4'-P energy: -77.200 tors. eta vs tors. theta energy: -152.890 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: 2 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1654.022835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.022835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.022835 (E_RNA) where: Base-Base interactions energy: -1139.749 where: short stacking energy: -499.472 Base-Backbone interact. energy: 0.924 local terms energy: -515.197696 where: bonds (distance) C4'-P energy: -96.258 bonds (distance) P-C4' energy: -96.312 flat angles C4'-P-C4' energy: -105.274 flat angles P-C4'-P energy: -64.526 tors. eta vs tors. theta energy: -152.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1451.793914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.793914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.793914 (E_RNA) where: Base-Base interactions energy: -973.162 where: short stacking energy: -410.885 Base-Backbone interact. energy: -0.511 local terms energy: -478.121277 where: bonds (distance) C4'-P energy: -92.943 bonds (distance) P-C4' energy: -105.176 flat angles C4'-P-C4' energy: -95.194 flat angles P-C4'-P energy: -65.223 tors. eta vs tors. theta energy: -119.586 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: 7 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -1371.230028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.230028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.230028 (E_RNA) where: Base-Base interactions energy: -945.806 where: short stacking energy: -399.419 Base-Backbone interact. energy: 0.470 local terms energy: -425.893524 where: bonds (distance) C4'-P energy: -65.663 bonds (distance) P-C4' energy: -84.453 flat angles C4'-P-C4' energy: -97.812 flat angles P-C4'-P energy: -63.335 tors. eta vs tors. theta energy: -114.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1331.254077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.254077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.254077 (E_RNA) where: Base-Base interactions energy: -897.069 where: short stacking energy: -384.311 Base-Backbone interact. energy: -1.229 local terms energy: -432.956055 where: bonds (distance) C4'-P energy: -84.477 bonds (distance) P-C4' energy: -83.819 flat angles C4'-P-C4' energy: -98.259 flat angles P-C4'-P energy: -59.701 tors. eta vs tors. theta energy: -106.701 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: 7, replica: 5 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1055.591617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.591617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.591617 (E_RNA) where: Base-Base interactions energy: -654.521 where: short stacking energy: -316.886 Base-Backbone interact. energy: 3.991 local terms energy: -405.061993 where: bonds (distance) C4'-P energy: -79.884 bonds (distance) P-C4' energy: -93.156 flat angles C4'-P-C4' energy: -91.160 flat angles P-C4'-P energy: -59.475 tors. eta vs tors. theta energy: -81.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -881.124650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.124650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.124650 (E_RNA) where: Base-Base interactions energy: -562.276 where: short stacking energy: -260.178 Base-Backbone interact. energy: -0.723 local terms energy: -318.125099 where: bonds (distance) C4'-P energy: -75.556 bonds (distance) P-C4' energy: -69.715 flat angles C4'-P-C4' energy: -85.438 flat angles P-C4'-P energy: -40.226 tors. eta vs tors. theta energy: -47.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -757.137818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.137818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.137818 (E_RNA) where: Base-Base interactions energy: -447.199 where: short stacking energy: -223.037 Base-Backbone interact. energy: 2.713 local terms energy: -312.651843 where: bonds (distance) C4'-P energy: -65.108 bonds (distance) P-C4' energy: -89.670 flat angles C4'-P-C4' energy: -75.557 flat angles P-C4'-P energy: -50.470 tors. eta vs tors. theta energy: -31.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -404.650076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.650076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.650076 (E_RNA) where: Base-Base interactions energy: -167.656 where: short stacking energy: -128.453 Base-Backbone interact. energy: 2.660 local terms energy: -239.654075 where: bonds (distance) C4'-P energy: -79.831 bonds (distance) P-C4' energy: -93.625 flat angles C4'-P-C4' energy: -56.355 flat angles P-C4'-P energy: -34.100 tors. eta vs tors. theta energy: 24.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1741.663505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.663505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.663505 (E_RNA) where: Base-Base interactions energy: -1193.444 where: short stacking energy: -511.980 Base-Backbone interact. energy: -0.553 local terms energy: -547.666712 where: bonds (distance) C4'-P energy: -105.956 bonds (distance) P-C4' energy: -99.219 flat angles C4'-P-C4' energy: -107.719 flat angles P-C4'-P energy: -75.934 tors. eta vs tors. theta energy: -158.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1659.909286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.909286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.909286 (E_RNA) where: Base-Base interactions energy: -1139.693 where: short stacking energy: -499.023 Base-Backbone interact. energy: -1.057 local terms energy: -519.159853 where: bonds (distance) C4'-P energy: -91.776 bonds (distance) P-C4' energy: -100.416 flat angles C4'-P-C4' energy: -108.031 flat angles P-C4'-P energy: -77.625 tors. eta vs tors. theta energy: -141.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1639.923829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.923829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.923829 (E_RNA) where: Base-Base interactions energy: -1147.941 where: short stacking energy: -502.687 Base-Backbone interact. energy: -2.164 local terms energy: -489.819597 where: bonds (distance) C4'-P energy: -89.115 bonds (distance) P-C4' energy: -80.464 flat angles C4'-P-C4' energy: -104.390 flat angles P-C4'-P energy: -71.222 tors. eta vs tors. theta energy: -144.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1467.741297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.741297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.741297 (E_RNA) where: Base-Base interactions energy: -997.531 where: short stacking energy: -431.626 Base-Backbone interact. energy: 3.611 local terms energy: -473.821197 where: bonds (distance) C4'-P energy: -83.535 bonds (distance) P-C4' energy: -90.305 flat angles C4'-P-C4' energy: -102.868 flat angles P-C4'-P energy: -70.952 tors. eta vs tors. theta energy: -126.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -1456.825970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.825970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.825970 (E_RNA) where: Base-Base interactions energy: -995.083 where: short stacking energy: -422.277 Base-Backbone interact. energy: -0.216 local terms energy: -461.526442 where: bonds (distance) C4'-P energy: -82.398 bonds (distance) P-C4' energy: -90.131 flat angles C4'-P-C4' energy: -95.041 flat angles P-C4'-P energy: -60.576 tors. eta vs tors. theta energy: -133.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1293.179475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.179475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.179475 (E_RNA) where: Base-Base interactions energy: -889.700 where: short stacking energy: -364.216 Base-Backbone interact. energy: 2.367 local terms energy: -405.845943 where: bonds (distance) C4'-P energy: -83.344 bonds (distance) P-C4' energy: -77.069 flat angles C4'-P-C4' energy: -80.551 flat angles P-C4'-P energy: -71.453 tors. eta vs tors. theta energy: -93.429 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: 7, replica: 5 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1034.346445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.346445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.346445 (E_RNA) where: Base-Base interactions energy: -686.460 where: short stacking energy: -314.337 Base-Backbone interact. energy: 1.537 local terms energy: -349.424249 where: bonds (distance) C4'-P energy: -72.256 bonds (distance) P-C4' energy: -69.631 flat angles C4'-P-C4' energy: -91.316 flat angles P-C4'-P energy: -52.376 tors. eta vs tors. theta energy: -63.845 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: 8, replica: 9 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -868.427865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.427865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.427865 (E_RNA) where: Base-Base interactions energy: -561.182 where: short stacking energy: -261.743 Base-Backbone interact. energy: 3.424 local terms energy: -310.669812 where: bonds (distance) C4'-P energy: -67.177 bonds (distance) P-C4' energy: -80.194 flat angles C4'-P-C4' energy: -78.300 flat angles P-C4'-P energy: -50.589 tors. eta vs tors. theta energy: -34.409 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: 1 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -787.693765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.693765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.693765 (E_RNA) where: Base-Base interactions energy: -451.130 where: short stacking energy: -233.703 Base-Backbone interact. energy: 2.194 local terms energy: -338.757836 where: bonds (distance) C4'-P energy: -80.576 bonds (distance) P-C4' energy: -91.373 flat angles C4'-P-C4' energy: -83.577 flat angles P-C4'-P energy: -41.686 tors. eta vs tors. theta energy: -41.547 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: 3 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -488.589331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.589331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.589331 (E_RNA) where: Base-Base interactions energy: -210.620 where: short stacking energy: -133.692 Base-Backbone interact. energy: 8.036 local terms energy: -286.004562 where: bonds (distance) C4'-P energy: -87.691 bonds (distance) P-C4' energy: -97.024 flat angles C4'-P-C4' energy: -64.371 flat angles P-C4'-P energy: -42.429 tors. eta vs tors. theta energy: 5.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1754.537808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.537808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.537808 (E_RNA) where: Base-Base interactions energy: -1225.578 where: short stacking energy: -524.092 Base-Backbone interact. energy: 1.498 local terms energy: -530.457878 where: bonds (distance) C4'-P energy: -96.779 bonds (distance) P-C4' energy: -83.179 flat angles C4'-P-C4' energy: -116.151 flat angles P-C4'-P energy: -78.021 tors. eta vs tors. theta energy: -156.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1668.538897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.538897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.538897 (E_RNA) where: Base-Base interactions energy: -1146.409 where: short stacking energy: -507.081 Base-Backbone interact. energy: -1.660 local terms energy: -520.470046 where: bonds (distance) C4'-P energy: -88.388 bonds (distance) P-C4' energy: -91.642 flat angles C4'-P-C4' energy: -116.711 flat angles P-C4'-P energy: -73.102 tors. eta vs tors. theta energy: -150.627 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: 326 Temperature: 1.000000 Total energy: -1616.034186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.034186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.034186 (E_RNA) where: Base-Base interactions energy: -1111.353 where: short stacking energy: -463.039 Base-Backbone interact. energy: -1.555 local terms energy: -503.126528 where: bonds (distance) C4'-P energy: -91.525 bonds (distance) P-C4' energy: -96.010 flat angles C4'-P-C4' energy: -108.566 flat angles P-C4'-P energy: -67.101 tors. eta vs tors. theta energy: -139.925 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: 326 Temperature: 1.050000 Total energy: -1462.101673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.101673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.101673 (E_RNA) where: Base-Base interactions energy: -1015.359 where: short stacking energy: -428.687 Base-Backbone interact. energy: -0.173 local terms energy: -446.570087 where: bonds (distance) C4'-P energy: -88.567 bonds (distance) P-C4' energy: -85.205 flat angles C4'-P-C4' energy: -96.132 flat angles P-C4'-P energy: -60.797 tors. eta vs tors. theta energy: -115.870 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: 7 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -1420.208123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.208123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.208123 (E_RNA) where: Base-Base interactions energy: -951.741 where: short stacking energy: -405.855 Base-Backbone interact. energy: 2.273 local terms energy: -470.739896 where: bonds (distance) C4'-P energy: -90.313 bonds (distance) P-C4' energy: -78.289 flat angles C4'-P-C4' energy: -104.135 flat angles P-C4'-P energy: -74.787 tors. eta vs tors. theta energy: -123.216 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: 4 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1312.902809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.902809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.902809 (E_RNA) where: Base-Base interactions energy: -891.170 where: short stacking energy: -388.775 Base-Backbone interact. energy: -1.408 local terms energy: -420.324481 where: bonds (distance) C4'-P energy: -78.882 bonds (distance) P-C4' energy: -83.810 flat angles C4'-P-C4' energy: -90.949 flat angles P-C4'-P energy: -60.522 tors. eta vs tors. theta energy: -106.161 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: 5 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1093.677258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.677258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.677258 (E_RNA) where: Base-Base interactions energy: -708.423 where: short stacking energy: -332.372 Base-Backbone interact. energy: 0.269 local terms energy: -385.523415 where: bonds (distance) C4'-P energy: -92.870 bonds (distance) P-C4' energy: -82.496 flat angles C4'-P-C4' energy: -71.013 flat angles P-C4'-P energy: -63.707 tors. eta vs tors. theta energy: -75.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -850.512194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.512194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.512194 (E_RNA) where: Base-Base interactions energy: -509.162 where: short stacking energy: -249.301 Base-Backbone interact. energy: 2.048 local terms energy: -343.397834 where: bonds (distance) C4'-P energy: -93.069 bonds (distance) P-C4' energy: -73.118 flat angles C4'-P-C4' energy: -77.230 flat angles P-C4'-P energy: -51.799 tors. eta vs tors. theta energy: -48.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -763.601421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.601421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.601421 (E_RNA) where: Base-Base interactions energy: -422.515 where: short stacking energy: -200.181 Base-Backbone interact. energy: -2.238 local terms energy: -338.848620 where: bonds (distance) C4'-P energy: -84.737 bonds (distance) P-C4' energy: -89.642 flat angles C4'-P-C4' energy: -77.547 flat angles P-C4'-P energy: -47.978 tors. eta vs tors. theta energy: -38.944 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: 10, replica: 3 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -498.918421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.918421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.918421 (E_RNA) where: Base-Base interactions energy: -230.878 where: short stacking energy: -152.084 Base-Backbone interact. energy: 5.684 local terms energy: -273.723967 where: bonds (distance) C4'-P energy: -67.982 bonds (distance) P-C4' energy: -90.802 flat angles C4'-P-C4' energy: -77.395 flat angles P-C4'-P energy: -35.709 tors. eta vs tors. theta energy: -1.836 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: 6 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1752.252401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.252401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.252401 (E_RNA) where: Base-Base interactions energy: -1227.038 where: short stacking energy: -529.383 Base-Backbone interact. energy: 0.724 local terms energy: -525.938436 where: bonds (distance) C4'-P energy: -94.537 bonds (distance) P-C4' energy: -93.298 flat angles C4'-P-C4' energy: -105.027 flat angles P-C4'-P energy: -73.622 tors. eta vs tors. theta energy: -159.454 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: 8 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1686.965761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.965761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.965761 (E_RNA) where: Base-Base interactions energy: -1143.467 where: short stacking energy: -494.919 Base-Backbone interact. energy: -3.360 local terms energy: -540.138470 where: bonds (distance) C4'-P energy: -98.504 bonds (distance) P-C4' energy: -103.660 flat angles C4'-P-C4' energy: -113.721 flat angles P-C4'-P energy: -78.251 tors. eta vs tors. theta energy: -146.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1635.704489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.704489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.704489 (E_RNA) where: Base-Base interactions energy: -1130.430 where: short stacking energy: -472.649 Base-Backbone interact. energy: -1.878 local terms energy: -503.395848 where: bonds (distance) C4'-P energy: -97.865 bonds (distance) P-C4' energy: -95.856 flat angles C4'-P-C4' energy: -111.215 flat angles P-C4'-P energy: -65.574 tors. eta vs tors. theta energy: -132.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1499.261546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.261546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.261546 (E_RNA) where: Base-Base interactions energy: -1031.680 where: short stacking energy: -439.991 Base-Backbone interact. energy: -0.062 local terms energy: -467.519737 where: bonds (distance) C4'-P energy: -87.439 bonds (distance) P-C4' energy: -85.734 flat angles C4'-P-C4' energy: -97.860 flat angles P-C4'-P energy: -69.460 tors. eta vs tors. theta energy: -127.026 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: 327 Temperature: 1.100000 Total energy: -1411.785574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.785574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.785574 (E_RNA) where: Base-Base interactions energy: -969.000 where: short stacking energy: -407.291 Base-Backbone interact. energy: -0.866 local terms energy: -441.919953 where: bonds (distance) C4'-P energy: -92.330 bonds (distance) P-C4' energy: -81.084 flat angles C4'-P-C4' energy: -109.608 flat angles P-C4'-P energy: -56.048 tors. eta vs tors. theta energy: -102.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1311.733049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.733049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.733049 (E_RNA) where: Base-Base interactions energy: -889.975 where: short stacking energy: -375.341 Base-Backbone interact. energy: 2.354 local terms energy: -424.112333 where: bonds (distance) C4'-P energy: -78.033 bonds (distance) P-C4' energy: -85.853 flat angles C4'-P-C4' energy: -89.616 flat angles P-C4'-P energy: -62.364 tors. eta vs tors. theta energy: -108.246 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: 5 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1046.927188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.927188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.927188 (E_RNA) where: Base-Base interactions energy: -680.516 where: short stacking energy: -305.687 Base-Backbone interact. energy: -0.850 local terms energy: -365.561728 where: bonds (distance) C4'-P energy: -73.704 bonds (distance) P-C4' energy: -90.296 flat angles C4'-P-C4' energy: -89.185 flat angles P-C4'-P energy: -33.144 tors. eta vs tors. theta energy: -79.233 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: 9 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -825.565119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.565119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.565119 (E_RNA) where: Base-Base interactions energy: -511.253 where: short stacking energy: -224.760 Base-Backbone interact. energy: 1.809 local terms energy: -316.120820 where: bonds (distance) C4'-P energy: -77.666 bonds (distance) P-C4' energy: -94.595 flat angles C4'-P-C4' energy: -75.206 flat angles P-C4'-P energy: -48.664 tors. eta vs tors. theta energy: -19.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -774.361174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.361174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.361174 (E_RNA) where: Base-Base interactions energy: -459.088 where: short stacking energy: -232.083 Base-Backbone interact. energy: 8.249 local terms energy: -323.522412 where: bonds (distance) C4'-P energy: -62.760 bonds (distance) P-C4' energy: -85.098 flat angles C4'-P-C4' energy: -87.469 flat angles P-C4'-P energy: -43.735 tors. eta vs tors. theta energy: -44.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -460.311107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.311107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.311107 (E_RNA) where: Base-Base interactions energy: -197.960 where: short stacking energy: -131.091 Base-Backbone interact. energy: -1.313 local terms energy: -261.038045 where: bonds (distance) C4'-P energy: -71.768 bonds (distance) P-C4' energy: -83.174 flat angles C4'-P-C4' energy: -66.709 flat angles P-C4'-P energy: -45.469 tors. eta vs tors. theta energy: 6.081 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: 6 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1772.852235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.852235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.852235 (E_RNA) where: Base-Base interactions energy: -1215.029 where: short stacking energy: -538.575 Base-Backbone interact. energy: -2.322 local terms energy: -555.500798 where: bonds (distance) C4'-P energy: -90.347 bonds (distance) P-C4' energy: -104.524 flat angles C4'-P-C4' energy: -111.951 flat angles P-C4'-P energy: -77.973 tors. eta vs tors. theta energy: -170.706 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: 8 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1658.344394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.344394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.344394 (E_RNA) where: Base-Base interactions energy: -1132.008 where: short stacking energy: -492.758 Base-Backbone interact. energy: -1.883 local terms energy: -524.452912 where: bonds (distance) C4'-P energy: -87.545 bonds (distance) P-C4' energy: -88.486 flat angles C4'-P-C4' energy: -112.732 flat angles P-C4'-P energy: -85.989 tors. eta vs tors. theta energy: -149.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1597.792098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.792098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.792098 (E_RNA) where: Base-Base interactions energy: -1093.373 where: short stacking energy: -453.870 Base-Backbone interact. energy: -2.244 local terms energy: -502.174476 where: bonds (distance) C4'-P energy: -89.294 bonds (distance) P-C4' energy: -89.297 flat angles C4'-P-C4' energy: -99.906 flat angles P-C4'-P energy: -80.122 tors. eta vs tors. theta energy: -143.556 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: 7 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1523.059602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.059602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.059602 (E_RNA) where: Base-Base interactions energy: -1065.908 where: short stacking energy: -452.303 Base-Backbone interact. energy: -4.091 local terms energy: -453.060882 where: bonds (distance) C4'-P energy: -83.017 bonds (distance) P-C4' energy: -88.162 flat angles C4'-P-C4' energy: -98.360 flat angles P-C4'-P energy: -58.056 tors. eta vs tors. theta energy: -125.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -1354.460093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.460093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.460093 (E_RNA) where: Base-Base interactions energy: -931.838 where: short stacking energy: -385.777 Base-Backbone interact. energy: -2.017 local terms energy: -420.605243 where: bonds (distance) C4'-P energy: -90.382 bonds (distance) P-C4' energy: -91.372 flat angles C4'-P-C4' energy: -92.750 flat angles P-C4'-P energy: -49.096 tors. eta vs tors. theta energy: -97.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1347.922760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.922760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.922760 (E_RNA) where: Base-Base interactions energy: -908.529 where: short stacking energy: -385.079 Base-Backbone interact. energy: -2.356 local terms energy: -437.038602 where: bonds (distance) C4'-P energy: -88.976 bonds (distance) P-C4' energy: -88.436 flat angles C4'-P-C4' energy: -99.855 flat angles P-C4'-P energy: -51.600 tors. eta vs tors. theta energy: -108.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1048.906081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.906081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.906081 (E_RNA) where: Base-Base interactions energy: -675.759 where: short stacking energy: -305.333 Base-Backbone interact. energy: -1.484 local terms energy: -371.663628 where: bonds (distance) C4'-P energy: -79.973 bonds (distance) P-C4' energy: -86.490 flat angles C4'-P-C4' energy: -100.274 flat angles P-C4'-P energy: -42.241 tors. eta vs tors. theta energy: -62.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -838.541206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.541206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.541206 (E_RNA) where: Base-Base interactions energy: -491.099 where: short stacking energy: -232.226 Base-Backbone interact. energy: -1.312 local terms energy: -346.130623 where: bonds (distance) C4'-P energy: -80.885 bonds (distance) P-C4' energy: -97.262 flat angles C4'-P-C4' energy: -88.825 flat angles P-C4'-P energy: -53.996 tors. eta vs tors. theta energy: -25.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -717.518812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.518812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.518812 (E_RNA) where: Base-Base interactions energy: -420.317 where: short stacking energy: -203.748 Base-Backbone interact. energy: 2.116 local terms energy: -299.318052 where: bonds (distance) C4'-P energy: -64.760 bonds (distance) P-C4' energy: -83.329 flat angles C4'-P-C4' energy: -68.353 flat angles P-C4'-P energy: -51.572 tors. eta vs tors. theta energy: -31.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -494.070570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.070570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.070570 (E_RNA) where: Base-Base interactions energy: -216.430 where: short stacking energy: -139.371 Base-Backbone interact. energy: 0.803 local terms energy: -278.442814 where: bonds (distance) C4'-P energy: -74.228 bonds (distance) P-C4' energy: -66.824 flat angles C4'-P-C4' energy: -84.074 flat angles P-C4'-P energy: -44.173 tors. eta vs tors. theta energy: -9.144 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: 6 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1743.136163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.136163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.136163 (E_RNA) where: Base-Base interactions energy: -1194.101 where: short stacking energy: -535.392 Base-Backbone interact. energy: -0.744 local terms energy: -548.291601 where: bonds (distance) C4'-P energy: -87.220 bonds (distance) P-C4' energy: -87.086 flat angles C4'-P-C4' energy: -118.993 flat angles P-C4'-P energy: -85.584 tors. eta vs tors. theta energy: -169.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1661.431848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.431848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.431848 (E_RNA) where: Base-Base interactions energy: -1151.467 where: short stacking energy: -507.098 Base-Backbone interact. energy: 1.796 local terms energy: -511.760406 where: bonds (distance) C4'-P energy: -83.945 bonds (distance) P-C4' energy: -89.465 flat angles C4'-P-C4' energy: -112.503 flat angles P-C4'-P energy: -77.691 tors. eta vs tors. theta energy: -148.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1618.433785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.433785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.433785 (E_RNA) where: Base-Base interactions energy: -1102.157 where: short stacking energy: -471.924 Base-Backbone interact. energy: -2.435 local terms energy: -513.842171 where: bonds (distance) C4'-P energy: -108.510 bonds (distance) P-C4' energy: -84.436 flat angles C4'-P-C4' energy: -103.373 flat angles P-C4'-P energy: -73.469 tors. eta vs tors. theta energy: -144.054 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: 7 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1520.938174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.938174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.938174 (E_RNA) where: Base-Base interactions energy: -1043.055 where: short stacking energy: -443.947 Base-Backbone interact. energy: -1.654 local terms energy: -476.229231 where: bonds (distance) C4'-P energy: -96.011 bonds (distance) P-C4' energy: -88.858 flat angles C4'-P-C4' energy: -102.253 flat angles P-C4'-P energy: -53.335 tors. eta vs tors. theta energy: -135.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -1364.896310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.896310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.896310 (E_RNA) where: Base-Base interactions energy: -933.785 where: short stacking energy: -378.725 Base-Backbone interact. energy: -1.390 local terms energy: -429.720917 where: bonds (distance) C4'-P energy: -95.592 bonds (distance) P-C4' energy: -92.861 flat angles C4'-P-C4' energy: -88.864 flat angles P-C4'-P energy: -49.739 tors. eta vs tors. theta energy: -102.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1382.620395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.620395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.620395 (E_RNA) where: Base-Base interactions energy: -951.011 where: short stacking energy: -403.059 Base-Backbone interact. energy: 0.019 local terms energy: -431.628069 where: bonds (distance) C4'-P energy: -92.026 bonds (distance) P-C4' energy: -87.375 flat angles C4'-P-C4' energy: -100.093 flat angles P-C4'-P energy: -57.704 tors. eta vs tors. theta energy: -94.431 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: 5 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1046.850648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.850648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.850648 (E_RNA) where: Base-Base interactions energy: -686.491 where: short stacking energy: -315.168 Base-Backbone interact. energy: 2.987 local terms energy: -363.346865 where: bonds (distance) C4'-P energy: -89.140 bonds (distance) P-C4' energy: -80.452 flat angles C4'-P-C4' energy: -81.002 flat angles P-C4'-P energy: -39.126 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: 9 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -875.186458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.186458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.186458 (E_RNA) where: Base-Base interactions energy: -552.229 where: short stacking energy: -263.094 Base-Backbone interact. energy: -1.853 local terms energy: -321.104004 where: bonds (distance) C4'-P energy: -80.904 bonds (distance) P-C4' energy: -79.646 flat angles C4'-P-C4' energy: -65.821 flat angles P-C4'-P energy: -53.760 tors. eta vs tors. theta energy: -40.973 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: 1 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -755.479175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.479175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.479175 (E_RNA) where: Base-Base interactions energy: -427.912 where: short stacking energy: -202.679 Base-Backbone interact. energy: 1.959 local terms energy: -329.526936 where: bonds (distance) C4'-P energy: -87.903 bonds (distance) P-C4' energy: -77.065 flat angles C4'-P-C4' energy: -71.847 flat angles P-C4'-P energy: -66.822 tors. eta vs tors. theta energy: -25.890 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: 3 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -520.097332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.097332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.097332 (E_RNA) where: Base-Base interactions energy: -255.522 where: short stacking energy: -174.379 Base-Backbone interact. energy: 1.499 local terms energy: -266.073873 where: bonds (distance) C4'-P energy: -85.667 bonds (distance) P-C4' energy: -60.157 flat angles C4'-P-C4' energy: -73.514 flat angles P-C4'-P energy: -41.829 tors. eta vs tors. theta energy: -4.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1740.110977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.110977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.110977 (E_RNA) where: Base-Base interactions energy: -1196.419 where: short stacking energy: -531.804 Base-Backbone interact. energy: 0.524 local terms energy: -544.215982 where: bonds (distance) C4'-P energy: -106.178 bonds (distance) P-C4' energy: -88.069 flat angles C4'-P-C4' energy: -119.846 flat angles P-C4'-P energy: -67.842 tors. eta vs tors. theta energy: -162.281 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: 330 Temperature: 0.950000 Total energy: -1670.309401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.309401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.309401 (E_RNA) where: Base-Base interactions energy: -1161.966 where: short stacking energy: -514.042 Base-Backbone interact. energy: -0.586 local terms energy: -507.756781 where: bonds (distance) C4'-P energy: -94.068 bonds (distance) P-C4' energy: -80.139 flat angles C4'-P-C4' energy: -102.166 flat angles P-C4'-P energy: -79.262 tors. eta vs tors. theta energy: -152.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1613.947038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.947038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.947038 (E_RNA) where: Base-Base interactions energy: -1079.062 where: short stacking energy: -469.470 Base-Backbone interact. energy: -0.304 local terms energy: -534.581153 where: bonds (distance) C4'-P energy: -97.767 bonds (distance) P-C4' energy: -111.497 flat angles C4'-P-C4' energy: -110.290 flat angles P-C4'-P energy: -68.878 tors. eta vs tors. theta energy: -146.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1522.548821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.548821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.548821 (E_RNA) where: Base-Base interactions energy: -1044.146 where: short stacking energy: -443.464 Base-Backbone interact. energy: -3.210 local terms energy: -475.192869 where: bonds (distance) C4'-P energy: -81.569 bonds (distance) P-C4' energy: -77.875 flat angles C4'-P-C4' energy: -118.622 flat angles P-C4'-P energy: -66.251 tors. eta vs tors. theta energy: -130.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1416.387902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.387902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.387902 (E_RNA) where: Base-Base interactions energy: -983.613 where: short stacking energy: -398.951 Base-Backbone interact. energy: 8.573 local terms energy: -441.348359 where: bonds (distance) C4'-P energy: -82.796 bonds (distance) P-C4' energy: -93.264 flat angles C4'-P-C4' energy: -92.732 flat angles P-C4'-P energy: -61.129 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: 6, replica: 4 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1296.626462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.626462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.626462 (E_RNA) where: Base-Base interactions energy: -895.957 where: short stacking energy: -347.082 Base-Backbone interact. energy: -1.232 local terms energy: -399.437482 where: bonds (distance) C4'-P energy: -82.956 bonds (distance) P-C4' energy: -77.189 flat angles C4'-P-C4' energy: -97.180 flat angles P-C4'-P energy: -57.400 tors. eta vs tors. theta energy: -84.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1065.739678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.739678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.739678 (E_RNA) where: Base-Base interactions energy: -671.079 where: short stacking energy: -319.592 Base-Backbone interact. energy: -2.003 local terms energy: -392.658356 where: bonds (distance) C4'-P energy: -86.126 bonds (distance) P-C4' energy: -80.945 flat angles C4'-P-C4' energy: -87.449 flat angles P-C4'-P energy: -67.221 tors. eta vs tors. theta energy: -70.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -928.036388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.036388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.036388 (E_RNA) where: Base-Base interactions energy: -587.378 where: short stacking energy: -294.976 Base-Backbone interact. energy: 0.460 local terms energy: -341.118674 where: bonds (distance) C4'-P energy: -58.760 bonds (distance) P-C4' energy: -90.508 flat angles C4'-P-C4' energy: -86.268 flat angles P-C4'-P energy: -44.131 tors. eta vs tors. theta energy: -61.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -746.475500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.475500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.475500 (E_RNA) where: Base-Base interactions energy: -445.975 where: short stacking energy: -210.167 Base-Backbone interact. energy: -0.372 local terms energy: -300.128430 where: bonds (distance) C4'-P energy: -77.902 bonds (distance) P-C4' energy: -76.603 flat angles C4'-P-C4' energy: -71.227 flat angles P-C4'-P energy: -53.214 tors. eta vs tors. theta energy: -21.182 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: 3 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -486.028606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.028606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.028606 (E_RNA) where: Base-Base interactions energy: -236.922 where: short stacking energy: -119.829 Base-Backbone interact. energy: 2.114 local terms energy: -251.220196 where: bonds (distance) C4'-P energy: -83.409 bonds (distance) P-C4' energy: -76.293 flat angles C4'-P-C4' energy: -70.659 flat angles P-C4'-P energy: -33.054 tors. eta vs tors. theta energy: 12.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1751.095049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.095049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.095049 (E_RNA) where: Base-Base interactions energy: -1206.438 where: short stacking energy: -553.236 Base-Backbone interact. energy: 0.645 local terms energy: -545.302519 where: bonds (distance) C4'-P energy: -94.496 bonds (distance) P-C4' energy: -101.110 flat angles C4'-P-C4' energy: -113.001 flat angles P-C4'-P energy: -72.052 tors. eta vs tors. theta energy: -164.643 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: 2, replica: 8 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1641.219631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.219631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.219631 (E_RNA) where: Base-Base interactions energy: -1124.009 where: short stacking energy: -488.014 Base-Backbone interact. energy: 0.727 local terms energy: -517.938292 where: bonds (distance) C4'-P energy: -97.152 bonds (distance) P-C4' energy: -102.566 flat angles C4'-P-C4' energy: -107.146 flat angles P-C4'-P energy: -71.807 tors. eta vs tors. theta energy: -139.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1588.058918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.058918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.058918 (E_RNA) where: Base-Base interactions energy: -1089.016 where: short stacking energy: -449.861 Base-Backbone interact. energy: -3.170 local terms energy: -495.872827 where: bonds (distance) C4'-P energy: -99.487 bonds (distance) P-C4' energy: -95.447 flat angles C4'-P-C4' energy: -97.951 flat angles P-C4'-P energy: -68.323 tors. eta vs tors. theta energy: -134.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1488.425728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.425728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.425728 (E_RNA) where: Base-Base interactions energy: -1002.483 where: short stacking energy: -431.585 Base-Backbone interact. energy: -2.604 local terms energy: -483.338542 where: bonds (distance) C4'-P energy: -81.139 bonds (distance) P-C4' energy: -85.181 flat angles C4'-P-C4' energy: -113.776 flat angles P-C4'-P energy: -69.028 tors. eta vs tors. theta energy: -134.215 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: 331 Temperature: 1.100000 Total energy: -1381.152657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.152657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.152657 (E_RNA) where: Base-Base interactions energy: -940.446 where: short stacking energy: -389.001 Base-Backbone interact. energy: 0.623 local terms energy: -441.329707 where: bonds (distance) C4'-P energy: -75.615 bonds (distance) P-C4' energy: -89.771 flat angles C4'-P-C4' energy: -107.265 flat angles P-C4'-P energy: -69.017 tors. eta vs tors. theta energy: -99.662 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: 4 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1288.761070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.761070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.761070 (E_RNA) where: Base-Base interactions energy: -895.830 where: short stacking energy: -368.074 Base-Backbone interact. energy: -4.647 local terms energy: -388.284321 where: bonds (distance) C4'-P energy: -89.824 bonds (distance) P-C4' energy: -75.741 flat angles C4'-P-C4' energy: -76.422 flat angles P-C4'-P energy: -54.879 tors. eta vs tors. theta energy: -91.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1044.531193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.531193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.531193 (E_RNA) where: Base-Base interactions energy: -641.006 where: short stacking energy: -304.710 Base-Backbone interact. energy: -2.177 local terms energy: -401.348078 where: bonds (distance) C4'-P energy: -96.072 bonds (distance) P-C4' energy: -93.146 flat angles C4'-P-C4' energy: -87.965 flat angles P-C4'-P energy: -58.857 tors. eta vs tors. theta energy: -65.309 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: 9 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -918.181424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.181424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.181424 (E_RNA) where: Base-Base interactions energy: -593.314 where: short stacking energy: -268.689 Base-Backbone interact. energy: -0.684 local terms energy: -324.183820 where: bonds (distance) C4'-P energy: -72.891 bonds (distance) P-C4' energy: -86.029 flat angles C4'-P-C4' energy: -66.244 flat angles P-C4'-P energy: -49.748 tors. eta vs tors. theta energy: -49.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -702.910328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.910328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.910328 (E_RNA) where: Base-Base interactions energy: -409.305 where: short stacking energy: -207.401 Base-Backbone interact. energy: -2.544 local terms energy: -291.061732 where: bonds (distance) C4'-P energy: -69.652 bonds (distance) P-C4' energy: -82.080 flat angles C4'-P-C4' energy: -78.816 flat angles P-C4'-P energy: -43.999 tors. eta vs tors. theta energy: -16.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -421.538116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.538116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.538116 (E_RNA) where: Base-Base interactions energy: -183.238 where: short stacking energy: -130.517 Base-Backbone interact. energy: -2.156 local terms energy: -236.143321 where: bonds (distance) C4'-P energy: -73.640 bonds (distance) P-C4' energy: -74.378 flat angles C4'-P-C4' energy: -71.980 flat angles P-C4'-P energy: -27.724 tors. eta vs tors. theta energy: 11.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1748.516761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.516761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.516761 (E_RNA) where: Base-Base interactions energy: -1198.281 where: short stacking energy: -548.487 Base-Backbone interact. energy: 0.377 local terms energy: -550.612892 where: bonds (distance) C4'-P energy: -93.340 bonds (distance) P-C4' energy: -95.358 flat angles C4'-P-C4' energy: -117.263 flat angles P-C4'-P energy: -84.116 tors. eta vs tors. theta energy: -160.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1638.652593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.652593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.652593 (E_RNA) where: Base-Base interactions energy: -1121.460 where: short stacking energy: -479.893 Base-Backbone interact. energy: 0.225 local terms energy: -517.416755 where: bonds (distance) C4'-P energy: -97.372 bonds (distance) P-C4' energy: -95.243 flat angles C4'-P-C4' energy: -106.295 flat angles P-C4'-P energy: -69.684 tors. eta vs tors. theta energy: -148.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1568.714000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.714000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.714000 (E_RNA) where: Base-Base interactions energy: -1070.939 where: short stacking energy: -464.147 Base-Backbone interact. energy: -1.658 local terms energy: -496.116477 where: bonds (distance) C4'-P energy: -88.146 bonds (distance) P-C4' energy: -105.064 flat angles C4'-P-C4' energy: -102.921 flat angles P-C4'-P energy: -63.294 tors. eta vs tors. theta energy: -136.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1477.831767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.831767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.831767 (E_RNA) where: Base-Base interactions energy: -1000.827 where: short stacking energy: -459.236 Base-Backbone interact. energy: -3.224 local terms energy: -473.780551 where: bonds (distance) C4'-P energy: -85.292 bonds (distance) P-C4' energy: -93.285 flat angles C4'-P-C4' energy: -102.333 flat angles P-C4'-P energy: -63.285 tors. eta vs tors. theta energy: -129.586 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: 10 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1393.080509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.080509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.080509 (E_RNA) where: Base-Base interactions energy: -970.328 where: short stacking energy: -374.312 Base-Backbone interact. energy: -1.002 local terms energy: -421.750596 where: bonds (distance) C4'-P energy: -86.178 bonds (distance) P-C4' energy: -94.834 flat angles C4'-P-C4' energy: -93.501 flat angles P-C4'-P energy: -57.142 tors. eta vs tors. theta energy: -90.096 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: 4 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1275.268414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.268414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.268414 (E_RNA) where: Base-Base interactions energy: -863.195 where: short stacking energy: -346.415 Base-Backbone interact. energy: -1.280 local terms energy: -410.793199 where: bonds (distance) C4'-P energy: -86.169 bonds (distance) P-C4' energy: -92.371 flat angles C4'-P-C4' energy: -93.413 flat angles P-C4'-P energy: -45.395 tors. eta vs tors. theta energy: -93.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1019.074441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.074441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.074441 (E_RNA) where: Base-Base interactions energy: -660.481 where: short stacking energy: -299.139 Base-Backbone interact. energy: -2.408 local terms energy: -356.185536 where: bonds (distance) C4'-P energy: -88.401 bonds (distance) P-C4' energy: -69.612 flat angles C4'-P-C4' energy: -82.929 flat angles P-C4'-P energy: -48.072 tors. eta vs tors. theta energy: -67.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -865.230628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.230628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.230628 (E_RNA) where: Base-Base interactions energy: -528.269 where: short stacking energy: -239.619 Base-Backbone interact. energy: 0.905 local terms energy: -337.866410 where: bonds (distance) C4'-P energy: -74.799 bonds (distance) P-C4' energy: -87.645 flat angles C4'-P-C4' energy: -85.086 flat angles P-C4'-P energy: -56.613 tors. eta vs tors. theta energy: -33.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -781.698725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.698725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.698725 (E_RNA) where: Base-Base interactions energy: -470.885 where: short stacking energy: -216.218 Base-Backbone interact. energy: 0.995 local terms energy: -311.809286 where: bonds (distance) C4'-P energy: -77.071 bonds (distance) P-C4' energy: -77.008 flat angles C4'-P-C4' energy: -79.460 flat angles P-C4'-P energy: -44.793 tors. eta vs tors. theta energy: -33.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -410.050384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.050384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.050384 (E_RNA) where: Base-Base interactions energy: -146.814 where: short stacking energy: -79.484 Base-Backbone interact. energy: 2.590 local terms energy: -265.826799 where: bonds (distance) C4'-P energy: -93.789 bonds (distance) P-C4' energy: -88.852 flat angles C4'-P-C4' energy: -70.054 flat angles P-C4'-P energy: -24.258 tors. eta vs tors. theta energy: 11.127 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: 6 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1760.589787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.589787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.589787 (E_RNA) where: Base-Base interactions energy: -1206.109 where: short stacking energy: -559.759 Base-Backbone interact. energy: -0.749 local terms energy: -553.732262 where: bonds (distance) C4'-P energy: -98.322 bonds (distance) P-C4' energy: -96.427 flat angles C4'-P-C4' energy: -112.830 flat angles P-C4'-P energy: -80.601 tors. eta vs tors. theta energy: -165.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1661.083237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.083237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.083237 (E_RNA) where: Base-Base interactions energy: -1150.086 where: short stacking energy: -504.211 Base-Backbone interact. energy: -2.096 local terms energy: -508.900652 where: bonds (distance) C4'-P energy: -87.179 bonds (distance) P-C4' energy: -94.903 flat angles C4'-P-C4' energy: -107.432 flat angles P-C4'-P energy: -71.255 tors. eta vs tors. theta energy: -148.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1551.819539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.819539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.819539 (E_RNA) where: Base-Base interactions energy: -1069.133 where: short stacking energy: -462.110 Base-Backbone interact. energy: -0.483 local terms energy: -482.203579 where: bonds (distance) C4'-P energy: -79.369 bonds (distance) P-C4' energy: -100.901 flat angles C4'-P-C4' energy: -105.882 flat angles P-C4'-P energy: -68.567 tors. eta vs tors. theta energy: -127.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1480.483103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.483103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.483103 (E_RNA) where: Base-Base interactions energy: -1026.642 where: short stacking energy: -443.263 Base-Backbone interact. energy: -1.410 local terms energy: -452.431095 where: bonds (distance) C4'-P energy: -83.731 bonds (distance) P-C4' energy: -89.811 flat angles C4'-P-C4' energy: -91.062 flat angles P-C4'-P energy: -68.369 tors. eta vs tors. theta energy: -119.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -1438.081542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.081542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.081542 (E_RNA) where: Base-Base interactions energy: -991.401 where: short stacking energy: -421.771 Base-Backbone interact. energy: -1.614 local terms energy: -445.066449 where: bonds (distance) C4'-P energy: -78.203 bonds (distance) P-C4' energy: -85.988 flat angles C4'-P-C4' energy: -101.496 flat angles P-C4'-P energy: -59.315 tors. eta vs tors. theta energy: -120.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1308.351570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.351570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.351570 (E_RNA) where: Base-Base interactions energy: -891.549 where: short stacking energy: -369.262 Base-Backbone interact. energy: 1.959 local terms energy: -418.761995 where: bonds (distance) C4'-P energy: -86.998 bonds (distance) P-C4' energy: -85.788 flat angles C4'-P-C4' energy: -94.365 flat angles P-C4'-P energy: -53.513 tors. eta vs tors. theta energy: -98.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1005.123593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.123593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.123593 (E_RNA) where: Base-Base interactions energy: -634.410 where: short stacking energy: -308.168 Base-Backbone interact. energy: -2.308 local terms energy: -368.405989 where: bonds (distance) C4'-P energy: -79.225 bonds (distance) P-C4' energy: -94.764 flat angles C4'-P-C4' energy: -74.906 flat angles P-C4'-P energy: -39.167 tors. eta vs tors. theta energy: -80.344 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: 9 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -878.213729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.213729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.213729 (E_RNA) where: Base-Base interactions energy: -551.360 where: short stacking energy: -250.662 Base-Backbone interact. energy: -1.037 local terms energy: -325.817422 where: bonds (distance) C4'-P energy: -85.892 bonds (distance) P-C4' energy: -85.211 flat angles C4'-P-C4' energy: -76.313 flat angles P-C4'-P energy: -40.974 tors. eta vs tors. theta energy: -37.427 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: 1 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -745.398183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.398183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.398183 (E_RNA) where: Base-Base interactions energy: -434.522 where: short stacking energy: -224.889 Base-Backbone interact. energy: -0.541 local terms energy: -310.335275 where: bonds (distance) C4'-P energy: -79.449 bonds (distance) P-C4' energy: -88.820 flat angles C4'-P-C4' energy: -75.275 flat angles P-C4'-P energy: -41.479 tors. eta vs tors. theta energy: -25.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -388.211422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.211422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.211422 (E_RNA) where: Base-Base interactions energy: -131.858 where: short stacking energy: -92.325 Base-Backbone interact. energy: -1.484 local terms energy: -254.869258 where: bonds (distance) C4'-P energy: -77.832 bonds (distance) P-C4' energy: -83.508 flat angles C4'-P-C4' energy: -63.869 flat angles P-C4'-P energy: -32.871 tors. eta vs tors. theta energy: 3.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1757.612364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.612364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.612364 (E_RNA) where: Base-Base interactions energy: -1207.795 where: short stacking energy: -540.074 Base-Backbone interact. energy: -2.677 local terms energy: -547.140563 where: bonds (distance) C4'-P energy: -99.444 bonds (distance) P-C4' energy: -90.658 flat angles C4'-P-C4' energy: -108.868 flat angles P-C4'-P energy: -81.558 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: 8 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1640.040647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.040647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.040647 (E_RNA) where: Base-Base interactions energy: -1112.465 where: short stacking energy: -498.916 Base-Backbone interact. energy: 0.406 local terms energy: -527.982079 where: bonds (distance) C4'-P energy: -92.071 bonds (distance) P-C4' energy: -101.885 flat angles C4'-P-C4' energy: -106.021 flat angles P-C4'-P energy: -78.029 tors. eta vs tors. theta energy: -149.976 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: 334 Temperature: 1.000000 Total energy: -1585.146755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.146755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.146755 (E_RNA) where: Base-Base interactions energy: -1087.742 where: short stacking energy: -473.627 Base-Backbone interact. energy: -1.019 local terms energy: -496.386532 where: bonds (distance) C4'-P energy: -82.748 bonds (distance) P-C4' energy: -102.869 flat angles C4'-P-C4' energy: -107.473 flat angles P-C4'-P energy: -72.725 tors. eta vs tors. theta energy: -130.571 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: 7 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1505.402810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.402810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.402810 (E_RNA) where: Base-Base interactions energy: -1034.387 where: short stacking energy: -436.014 Base-Backbone interact. energy: -3.938 local terms energy: -467.077079 where: bonds (distance) C4'-P energy: -91.531 bonds (distance) P-C4' energy: -80.397 flat angles C4'-P-C4' energy: -101.033 flat angles P-C4'-P energy: -69.615 tors. eta vs tors. theta energy: -124.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1430.292541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.292541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.292541 (E_RNA) where: Base-Base interactions energy: -1003.233 where: short stacking energy: -429.860 Base-Backbone interact. energy: -1.193 local terms energy: -425.866527 where: bonds (distance) C4'-P energy: -86.467 bonds (distance) P-C4' energy: -75.854 flat angles C4'-P-C4' energy: -100.671 flat angles P-C4'-P energy: -59.131 tors. eta vs tors. theta energy: -103.744 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: 4 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1279.144666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.144666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.144666 (E_RNA) where: Base-Base interactions energy: -878.466 where: short stacking energy: -369.702 Base-Backbone interact. energy: -3.229 local terms energy: -397.450481 where: bonds (distance) C4'-P energy: -81.331 bonds (distance) P-C4' energy: -79.166 flat angles C4'-P-C4' energy: -83.878 flat angles P-C4'-P energy: -62.625 tors. eta vs tors. theta energy: -90.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1024.832928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.832928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.832928 (E_RNA) where: Base-Base interactions energy: -653.911 where: short stacking energy: -290.844 Base-Backbone interact. energy: 2.823 local terms energy: -373.743969 where: bonds (distance) C4'-P energy: -64.959 bonds (distance) P-C4' energy: -89.199 flat angles C4'-P-C4' energy: -86.393 flat angles P-C4'-P energy: -52.044 tors. eta vs tors. theta energy: -81.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -813.210250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.210250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.210250 (E_RNA) where: Base-Base interactions energy: -482.986 where: short stacking energy: -226.368 Base-Backbone interact. energy: 0.795 local terms energy: -331.019558 where: bonds (distance) C4'-P energy: -89.816 bonds (distance) P-C4' energy: -72.852 flat angles C4'-P-C4' energy: -75.051 flat angles P-C4'-P energy: -55.566 tors. eta vs tors. theta energy: -37.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -713.905361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.905361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.905361 (E_RNA) where: Base-Base interactions energy: -430.064 where: short stacking energy: -196.554 Base-Backbone interact. energy: -1.875 local terms energy: -281.966356 where: bonds (distance) C4'-P energy: -74.900 bonds (distance) P-C4' energy: -69.938 flat angles C4'-P-C4' energy: -73.824 flat angles P-C4'-P energy: -51.907 tors. eta vs tors. theta energy: -11.398 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: 3 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -388.808564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.808564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.808564 (E_RNA) where: Base-Base interactions energy: -184.114 where: short stacking energy: -126.904 Base-Backbone interact. energy: 8.375 local terms energy: -213.069150 where: bonds (distance) C4'-P energy: -65.936 bonds (distance) P-C4' energy: -73.850 flat angles C4'-P-C4' energy: -49.136 flat angles P-C4'-P energy: -50.467 tors. eta vs tors. theta energy: 26.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1751.006294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.006294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.006294 (E_RNA) where: Base-Base interactions energy: -1187.343 where: short stacking energy: -533.718 Base-Backbone interact. energy: -2.405 local terms energy: -561.258773 where: bonds (distance) C4'-P energy: -99.566 bonds (distance) P-C4' energy: -100.617 flat angles C4'-P-C4' energy: -117.197 flat angles P-C4'-P energy: -77.693 tors. eta vs tors. theta energy: -166.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1651.540406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.540406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.540406 (E_RNA) where: Base-Base interactions energy: -1132.576 where: short stacking energy: -523.075 Base-Backbone interact. energy: -0.292 local terms energy: -518.672444 where: bonds (distance) C4'-P energy: -100.762 bonds (distance) P-C4' energy: -95.575 flat angles C4'-P-C4' energy: -101.893 flat angles P-C4'-P energy: -71.218 tors. eta vs tors. theta energy: -149.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1592.135965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.135965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.135965 (E_RNA) where: Base-Base interactions energy: -1101.862 where: short stacking energy: -462.807 Base-Backbone interact. energy: -0.994 local terms energy: -489.279537 where: bonds (distance) C4'-P energy: -93.172 bonds (distance) P-C4' energy: -100.755 flat angles C4'-P-C4' energy: -99.559 flat angles P-C4'-P energy: -65.313 tors. eta vs tors. theta energy: -130.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1468.011471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.011471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.011471 (E_RNA) where: Base-Base interactions energy: -1001.639 where: short stacking energy: -423.742 Base-Backbone interact. energy: -1.112 local terms energy: -465.260570 where: bonds (distance) C4'-P energy: -87.824 bonds (distance) P-C4' energy: -97.721 flat angles C4'-P-C4' energy: -105.126 flat angles P-C4'-P energy: -58.128 tors. eta vs tors. theta energy: -116.462 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: 10 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1374.286430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.286430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.286430 (E_RNA) where: Base-Base interactions energy: -943.323 where: short stacking energy: -416.383 Base-Backbone interact. energy: -1.935 local terms energy: -429.028157 where: bonds (distance) C4'-P energy: -94.753 bonds (distance) P-C4' energy: -86.903 flat angles C4'-P-C4' energy: -87.235 flat angles P-C4'-P energy: -49.544 tors. eta vs tors. theta energy: -110.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1291.136893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.136893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.136893 (E_RNA) where: Base-Base interactions energy: -877.264 where: short stacking energy: -370.773 Base-Backbone interact. energy: -0.994 local terms energy: -412.878594 where: bonds (distance) C4'-P energy: -76.554 bonds (distance) P-C4' energy: -84.193 flat angles C4'-P-C4' energy: -103.984 flat angles P-C4'-P energy: -56.432 tors. eta vs tors. theta energy: -91.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1031.116961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.116961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.116961 (E_RNA) where: Base-Base interactions energy: -640.866 where: short stacking energy: -307.382 Base-Backbone interact. energy: -2.987 local terms energy: -387.264130 where: bonds (distance) C4'-P energy: -79.590 bonds (distance) P-C4' energy: -78.852 flat angles C4'-P-C4' energy: -99.524 flat angles P-C4'-P energy: -60.015 tors. eta vs tors. theta energy: -69.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -827.808988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.808988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.808988 (E_RNA) where: Base-Base interactions energy: -488.743 where: short stacking energy: -240.278 Base-Backbone interact. energy: -1.627 local terms energy: -337.439212 where: bonds (distance) C4'-P energy: -83.244 bonds (distance) P-C4' energy: -67.447 flat angles C4'-P-C4' energy: -89.451 flat angles P-C4'-P energy: -43.714 tors. eta vs tors. theta energy: -53.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -722.914732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.914732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.914732 (E_RNA) where: Base-Base interactions energy: -405.799 where: short stacking energy: -187.092 Base-Backbone interact. energy: 4.534 local terms energy: -321.649449 where: bonds (distance) C4'-P energy: -93.441 bonds (distance) P-C4' energy: -88.755 flat angles C4'-P-C4' energy: -65.123 flat angles P-C4'-P energy: -43.655 tors. eta vs tors. theta energy: -30.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -414.514747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.514747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.514747 (E_RNA) where: Base-Base interactions energy: -160.465 where: short stacking energy: -99.900 Base-Backbone interact. energy: 0.482 local terms energy: -254.532455 where: bonds (distance) C4'-P energy: -77.364 bonds (distance) P-C4' energy: -78.988 flat angles C4'-P-C4' energy: -66.298 flat angles P-C4'-P energy: -42.457 tors. eta vs tors. theta energy: 10.575 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: 6 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1746.799689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.799689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.799689 (E_RNA) where: Base-Base interactions energy: -1206.515 where: short stacking energy: -521.739 Base-Backbone interact. energy: -2.997 local terms energy: -537.287315 where: bonds (distance) C4'-P energy: -103.380 bonds (distance) P-C4' energy: -97.665 flat angles C4'-P-C4' energy: -103.513 flat angles P-C4'-P energy: -77.314 tors. eta vs tors. theta energy: -155.416 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: 2, replica: 8 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1648.766033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.766033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.766033 (E_RNA) where: Base-Base interactions energy: -1136.593 where: short stacking energy: -502.950 Base-Backbone interact. energy: -2.189 local terms energy: -509.983941 where: bonds (distance) C4'-P energy: -100.065 bonds (distance) P-C4' energy: -93.171 flat angles C4'-P-C4' energy: -102.016 flat angles P-C4'-P energy: -65.461 tors. eta vs tors. theta energy: -149.272 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: 336 Temperature: 1.000000 Total energy: -1601.603553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.603553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.603553 (E_RNA) where: Base-Base interactions energy: -1094.839 where: short stacking energy: -484.274 Base-Backbone interact. energy: -2.812 local terms energy: -503.952753 where: bonds (distance) C4'-P energy: -110.205 bonds (distance) P-C4' energy: -76.344 flat angles C4'-P-C4' energy: -106.159 flat angles P-C4'-P energy: -73.049 tors. eta vs tors. theta energy: -138.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1466.620157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.620157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.620157 (E_RNA) where: Base-Base interactions energy: -1013.953 where: short stacking energy: -437.956 Base-Backbone interact. energy: 0.237 local terms energy: -452.904868 where: bonds (distance) C4'-P energy: -86.411 bonds (distance) P-C4' energy: -88.222 flat angles C4'-P-C4' energy: -100.259 flat angles P-C4'-P energy: -58.470 tors. eta vs tors. theta energy: -119.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -1351.582985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.582985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.582985 (E_RNA) where: Base-Base interactions energy: -916.318 where: short stacking energy: -382.257 Base-Backbone interact. energy: 1.651 local terms energy: -436.916307 where: bonds (distance) C4'-P energy: -92.004 bonds (distance) P-C4' energy: -101.194 flat angles C4'-P-C4' energy: -97.311 flat angles P-C4'-P energy: -50.146 tors. eta vs tors. theta energy: -96.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1327.338905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.338905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.338905 (E_RNA) where: Base-Base interactions energy: -926.846 where: short stacking energy: -378.140 Base-Backbone interact. energy: -0.939 local terms energy: -399.553981 where: bonds (distance) C4'-P energy: -94.853 bonds (distance) P-C4' energy: -89.354 flat angles C4'-P-C4' energy: -71.056 flat angles P-C4'-P energy: -60.229 tors. eta vs tors. theta energy: -84.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1021.241995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.241995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.241995 (E_RNA) where: Base-Base interactions energy: -653.030 where: short stacking energy: -301.610 Base-Backbone interact. energy: -0.215 local terms energy: -367.996719 where: bonds (distance) C4'-P energy: -88.465 bonds (distance) P-C4' energy: -76.567 flat angles C4'-P-C4' energy: -82.161 flat angles P-C4'-P energy: -62.313 tors. eta vs tors. theta energy: -58.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -786.486779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.486779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.486779 (E_RNA) where: Base-Base interactions energy: -448.391 where: short stacking energy: -224.791 Base-Backbone interact. energy: 1.702 local terms energy: -339.797617 where: bonds (distance) C4'-P energy: -92.689 bonds (distance) P-C4' energy: -81.710 flat angles C4'-P-C4' energy: -78.398 flat angles P-C4'-P energy: -54.101 tors. eta vs tors. theta energy: -32.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -778.743524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.743524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.743524 (E_RNA) where: Base-Base interactions energy: -453.962 where: short stacking energy: -235.258 Base-Backbone interact. energy: -0.348 local terms energy: -324.434118 where: bonds (distance) C4'-P energy: -73.569 bonds (distance) P-C4' energy: -78.569 flat angles C4'-P-C4' energy: -82.414 flat angles P-C4'-P energy: -50.563 tors. eta vs tors. theta energy: -39.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -504.644731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.644731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.644731 (E_RNA) where: Base-Base interactions energy: -237.270 where: short stacking energy: -159.818 Base-Backbone interact. energy: 4.706 local terms energy: -272.080843 where: bonds (distance) C4'-P energy: -69.780 bonds (distance) P-C4' energy: -82.457 flat angles C4'-P-C4' energy: -68.583 flat angles P-C4'-P energy: -38.669 tors. eta vs tors. theta energy: -12.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1771.201065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.201065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.201065 (E_RNA) where: Base-Base interactions energy: -1198.679 where: short stacking energy: -518.658 Base-Backbone interact. energy: -3.041 local terms energy: -569.481124 where: bonds (distance) C4'-P energy: -102.180 bonds (distance) P-C4' energy: -101.686 flat angles C4'-P-C4' energy: -108.911 flat angles P-C4'-P energy: -92.235 tors. eta vs tors. theta energy: -164.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1628.826557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.826557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.826557 (E_RNA) where: Base-Base interactions energy: -1113.296 where: short stacking energy: -507.586 Base-Backbone interact. energy: -1.320 local terms energy: -514.210993 where: bonds (distance) C4'-P energy: -94.732 bonds (distance) P-C4' energy: -97.521 flat angles C4'-P-C4' energy: -100.383 flat angles P-C4'-P energy: -75.440 tors. eta vs tors. theta energy: -146.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1594.528176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.528176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.528176 (E_RNA) where: Base-Base interactions energy: -1110.716 where: short stacking energy: -498.049 Base-Backbone interact. energy: -0.831 local terms energy: -482.980711 where: bonds (distance) C4'-P energy: -82.926 bonds (distance) P-C4' energy: -85.314 flat angles C4'-P-C4' energy: -106.993 flat angles P-C4'-P energy: -72.883 tors. eta vs tors. theta energy: -134.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1441.524750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.524750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.524750 (E_RNA) where: Base-Base interactions energy: -1000.310 where: short stacking energy: -418.411 Base-Backbone interact. energy: 3.623 local terms energy: -444.838326 where: bonds (distance) C4'-P energy: -77.399 bonds (distance) P-C4' energy: -88.447 flat angles C4'-P-C4' energy: -101.647 flat angles P-C4'-P energy: -62.814 tors. eta vs tors. theta energy: -114.531 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: 4 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1371.628535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.628535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.628535 (E_RNA) where: Base-Base interactions energy: -930.056 where: short stacking energy: -392.397 Base-Backbone interact. energy: -4.814 local terms energy: -436.759162 where: bonds (distance) C4'-P energy: -87.973 bonds (distance) P-C4' energy: -87.275 flat angles C4'-P-C4' energy: -99.540 flat angles P-C4'-P energy: -53.184 tors. eta vs tors. theta energy: -108.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1344.849044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.849044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.849044 (E_RNA) where: Base-Base interactions energy: -913.253 where: short stacking energy: -397.812 Base-Backbone interact. energy: 4.932 local terms energy: -436.527679 where: bonds (distance) C4'-P energy: -72.363 bonds (distance) P-C4' energy: -97.727 flat angles C4'-P-C4' energy: -89.100 flat angles P-C4'-P energy: -63.026 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: 7, replica: 5 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1014.171028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.171028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.171028 (E_RNA) where: Base-Base interactions energy: -648.113 where: short stacking energy: -302.405 Base-Backbone interact. energy: -0.626 local terms energy: -365.432523 where: bonds (distance) C4'-P energy: -71.863 bonds (distance) P-C4' energy: -71.517 flat angles C4'-P-C4' energy: -91.930 flat angles P-C4'-P energy: -62.543 tors. eta vs tors. theta energy: -67.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -824.441788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.441788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.441788 (E_RNA) where: Base-Base interactions energy: -498.787 where: short stacking energy: -265.632 Base-Backbone interact. energy: 1.308 local terms energy: -326.962979 where: bonds (distance) C4'-P energy: -73.288 bonds (distance) P-C4' energy: -77.150 flat angles C4'-P-C4' energy: -59.103 flat angles P-C4'-P energy: -61.783 tors. eta vs tors. theta energy: -55.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -820.534302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.534302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.534302 (E_RNA) where: Base-Base interactions energy: -507.975 where: short stacking energy: -243.583 Base-Backbone interact. energy: -1.854 local terms energy: -310.705239 where: bonds (distance) C4'-P energy: -74.474 bonds (distance) P-C4' energy: -81.963 flat angles C4'-P-C4' energy: -70.426 flat angles P-C4'-P energy: -60.212 tors. eta vs tors. theta energy: -23.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -441.935771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.935771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.935771 (E_RNA) where: Base-Base interactions energy: -191.199 where: short stacking energy: -134.657 Base-Backbone interact. energy: -0.640 local terms energy: -250.096729 where: bonds (distance) C4'-P energy: -78.793 bonds (distance) P-C4' energy: -76.383 flat angles C4'-P-C4' energy: -68.399 flat angles P-C4'-P energy: -27.252 tors. eta vs tors. theta energy: 0.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1759.652759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.652759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.652759 (E_RNA) where: Base-Base interactions energy: -1217.919 where: short stacking energy: -549.757 Base-Backbone interact. energy: -1.506 local terms energy: -540.227333 where: bonds (distance) C4'-P energy: -98.882 bonds (distance) P-C4' energy: -86.715 flat angles C4'-P-C4' energy: -115.727 flat angles P-C4'-P energy: -77.336 tors. eta vs tors. theta energy: -161.568 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: 8 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1646.200892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.200892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.200892 (E_RNA) where: Base-Base interactions energy: -1138.023 where: short stacking energy: -505.239 Base-Backbone interact. energy: -0.432 local terms energy: -507.745805 where: bonds (distance) C4'-P energy: -95.556 bonds (distance) P-C4' energy: -86.434 flat angles C4'-P-C4' energy: -107.232 flat angles P-C4'-P energy: -70.244 tors. eta vs tors. theta energy: -148.279 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: 2 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1562.532467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.532467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.532467 (E_RNA) where: Base-Base interactions energy: -1087.672 where: short stacking energy: -459.001 Base-Backbone interact. energy: -1.525 local terms energy: -473.335623 where: bonds (distance) C4'-P energy: -88.247 bonds (distance) P-C4' energy: -91.000 flat angles C4'-P-C4' energy: -109.180 flat angles P-C4'-P energy: -66.163 tors. eta vs tors. theta energy: -118.746 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: 7 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1477.646989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.646989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.646989 (E_RNA) where: Base-Base interactions energy: -1004.897 where: short stacking energy: -435.379 Base-Backbone interact. energy: -3.130 local terms energy: -469.620179 where: bonds (distance) C4'-P energy: -84.132 bonds (distance) P-C4' energy: -91.733 flat angles C4'-P-C4' energy: -108.487 flat angles P-C4'-P energy: -68.999 tors. eta vs tors. theta energy: -116.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -1424.471036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.471036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.471036 (E_RNA) where: Base-Base interactions energy: -1003.734 where: short stacking energy: -403.128 Base-Backbone interact. energy: -0.890 local terms energy: -419.846374 where: bonds (distance) C4'-P energy: -63.396 bonds (distance) P-C4' energy: -86.682 flat angles C4'-P-C4' energy: -93.013 flat angles P-C4'-P energy: -68.873 tors. eta vs tors. theta energy: -107.883 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: 4 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -1256.588282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.588282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.588282 (E_RNA) where: Base-Base interactions energy: -866.590 where: short stacking energy: -381.686 Base-Backbone interact. energy: 2.261 local terms energy: -392.259171 where: bonds (distance) C4'-P energy: -94.330 bonds (distance) P-C4' energy: -76.857 flat angles C4'-P-C4' energy: -81.948 flat angles P-C4'-P energy: -49.168 tors. eta vs tors. theta energy: -89.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1014.411991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.411991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.411991 (E_RNA) where: Base-Base interactions energy: -649.866 where: short stacking energy: -306.335 Base-Backbone interact. energy: 2.176 local terms energy: -366.721294 where: bonds (distance) C4'-P energy: -85.713 bonds (distance) P-C4' energy: -85.287 flat angles C4'-P-C4' energy: -96.903 flat angles P-C4'-P energy: -40.461 tors. eta vs tors. theta energy: -58.357 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: 1 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -837.664521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.664521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.664521 (E_RNA) where: Base-Base interactions energy: -488.370 where: short stacking energy: -260.233 Base-Backbone interact. energy: 0.109 local terms energy: -349.403271 where: bonds (distance) C4'-P energy: -81.388 bonds (distance) P-C4' energy: -92.543 flat angles C4'-P-C4' energy: -76.688 flat angles P-C4'-P energy: -48.812 tors. eta vs tors. theta energy: -49.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -828.723326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.723326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.723326 (E_RNA) where: Base-Base interactions energy: -506.321 where: short stacking energy: -256.431 Base-Backbone interact. energy: 1.961 local terms energy: -324.363463 where: bonds (distance) C4'-P energy: -70.986 bonds (distance) P-C4' energy: -72.655 flat angles C4'-P-C4' energy: -90.566 flat angles P-C4'-P energy: -41.522 tors. eta vs tors. theta energy: -48.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -509.163841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.163841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.163841 (E_RNA) where: Base-Base interactions energy: -227.990 where: short stacking energy: -144.556 Base-Backbone interact. energy: -2.207 local terms energy: -278.966849 where: bonds (distance) C4'-P energy: -80.769 bonds (distance) P-C4' energy: -81.389 flat angles C4'-P-C4' energy: -61.038 flat angles P-C4'-P energy: -52.412 tors. eta vs tors. theta energy: -3.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1760.341262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.341262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.341262 (E_RNA) where: Base-Base interactions energy: -1206.867 where: short stacking energy: -552.097 Base-Backbone interact. energy: -0.232 local terms energy: -553.242880 where: bonds (distance) C4'-P energy: -95.454 bonds (distance) P-C4' energy: -99.237 flat angles C4'-P-C4' energy: -110.463 flat angles P-C4'-P energy: -78.743 tors. eta vs tors. theta energy: -169.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1652.800691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.800691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.800691 (E_RNA) where: Base-Base interactions energy: -1139.090 where: short stacking energy: -488.181 Base-Backbone interact. energy: -1.589 local terms energy: -512.121808 where: bonds (distance) C4'-P energy: -97.957 bonds (distance) P-C4' energy: -84.013 flat angles C4'-P-C4' energy: -108.587 flat angles P-C4'-P energy: -74.643 tors. eta vs tors. theta energy: -146.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1592.985759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.985759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.985759 (E_RNA) where: Base-Base interactions energy: -1101.367 where: short stacking energy: -470.003 Base-Backbone interact. energy: -2.167 local terms energy: -489.451715 where: bonds (distance) C4'-P energy: -87.018 bonds (distance) P-C4' energy: -90.478 flat angles C4'-P-C4' energy: -102.617 flat angles P-C4'-P energy: -75.687 tors. eta vs tors. theta energy: -133.651 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: 4, replica: 10 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1480.812209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.812209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.812209 (E_RNA) where: Base-Base interactions energy: -1044.873 where: short stacking energy: -453.271 Base-Backbone interact. energy: -0.935 local terms energy: -435.003508 where: bonds (distance) C4'-P energy: -68.792 bonds (distance) P-C4' energy: -80.674 flat angles C4'-P-C4' energy: -102.539 flat angles P-C4'-P energy: -63.886 tors. eta vs tors. theta energy: -119.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1438.387874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.387874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.387874 (E_RNA) where: Base-Base interactions energy: -990.726 where: short stacking energy: -431.099 Base-Backbone interact. energy: 1.118 local terms energy: -448.780630 where: bonds (distance) C4'-P energy: -88.215 bonds (distance) P-C4' energy: -87.882 flat angles C4'-P-C4' energy: -95.089 flat angles P-C4'-P energy: -59.827 tors. eta vs tors. theta energy: -117.767 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: 4 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1262.990252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.990252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.990252 (E_RNA) where: Base-Base interactions energy: -863.429 where: short stacking energy: -348.201 Base-Backbone interact. energy: 1.518 local terms energy: -401.079498 where: bonds (distance) C4'-P energy: -85.360 bonds (distance) P-C4' energy: -68.406 flat angles C4'-P-C4' energy: -98.044 flat angles P-C4'-P energy: -66.172 tors. eta vs tors. theta energy: -83.097 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: 5 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1035.413589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.413589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.413589 (E_RNA) where: Base-Base interactions energy: -651.291 where: short stacking energy: -281.701 Base-Backbone interact. energy: -2.169 local terms energy: -381.953607 where: bonds (distance) C4'-P energy: -73.752 bonds (distance) P-C4' energy: -96.257 flat angles C4'-P-C4' energy: -88.278 flat angles P-C4'-P energy: -56.791 tors. eta vs tors. theta energy: -66.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -860.481742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.481742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.481742 (E_RNA) where: Base-Base interactions energy: -526.663 where: short stacking energy: -254.263 Base-Backbone interact. energy: 0.320 local terms energy: -334.138976 where: bonds (distance) C4'-P energy: -82.655 bonds (distance) P-C4' energy: -74.111 flat angles C4'-P-C4' energy: -81.359 flat angles P-C4'-P energy: -50.677 tors. eta vs tors. theta energy: -45.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -766.194648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.194648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.194648 (E_RNA) where: Base-Base interactions energy: -453.917 where: short stacking energy: -220.378 Base-Backbone interact. energy: -1.275 local terms energy: -311.002400 where: bonds (distance) C4'-P energy: -78.310 bonds (distance) P-C4' energy: -73.281 flat angles C4'-P-C4' energy: -81.557 flat angles P-C4'-P energy: -42.850 tors. eta vs tors. theta energy: -35.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -480.934723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.934723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.934723 (E_RNA) where: Base-Base interactions energy: -246.012 where: short stacking energy: -135.491 Base-Backbone interact. energy: 3.871 local terms energy: -238.793731 where: bonds (distance) C4'-P energy: -78.552 bonds (distance) P-C4' energy: -78.340 flat angles C4'-P-C4' energy: -47.144 flat angles P-C4'-P energy: -44.310 tors. eta vs tors. theta energy: 9.552 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: 6 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1763.005829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.005829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.005829 (E_RNA) where: Base-Base interactions energy: -1210.952 where: short stacking energy: -531.258 Base-Backbone interact. energy: -2.529 local terms energy: -549.524794 where: bonds (distance) C4'-P energy: -100.017 bonds (distance) P-C4' energy: -98.917 flat angles C4'-P-C4' energy: -114.144 flat angles P-C4'-P energy: -68.021 tors. eta vs tors. theta energy: -168.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1657.297019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.297019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.297019 (E_RNA) where: Base-Base interactions energy: -1114.488 where: short stacking energy: -481.490 Base-Backbone interact. energy: -1.098 local terms energy: -541.710944 where: bonds (distance) C4'-P energy: -98.924 bonds (distance) P-C4' energy: -103.006 flat angles C4'-P-C4' energy: -117.112 flat angles P-C4'-P energy: -85.727 tors. eta vs tors. theta energy: -136.941 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: 3, replica: 2 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1585.980952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.980952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.980952 (E_RNA) where: Base-Base interactions energy: -1075.855 where: short stacking energy: -462.302 Base-Backbone interact. energy: -2.026 local terms energy: -508.100150 where: bonds (distance) C4'-P energy: -86.621 bonds (distance) P-C4' energy: -95.510 flat angles C4'-P-C4' energy: -109.247 flat angles P-C4'-P energy: -73.527 tors. eta vs tors. theta energy: -143.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1486.804498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.804498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.804498 (E_RNA) where: Base-Base interactions energy: -1026.867 where: short stacking energy: -443.554 Base-Backbone interact. energy: -2.618 local terms energy: -457.319319 where: bonds (distance) C4'-P energy: -79.345 bonds (distance) P-C4' energy: -85.683 flat angles C4'-P-C4' energy: -93.258 flat angles P-C4'-P energy: -67.579 tors. eta vs tors. theta energy: -131.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1438.302861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.302861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.302861 (E_RNA) where: Base-Base interactions energy: -988.223 where: short stacking energy: -413.034 Base-Backbone interact. energy: -1.893 local terms energy: -448.186908 where: bonds (distance) C4'-P energy: -82.809 bonds (distance) P-C4' energy: -83.220 flat angles C4'-P-C4' energy: -103.088 flat angles P-C4'-P energy: -65.714 tors. eta vs tors. theta energy: -113.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1250.109345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.109345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.109345 (E_RNA) where: Base-Base interactions energy: -845.209 where: short stacking energy: -337.717 Base-Backbone interact. energy: -0.277 local terms energy: -404.622918 where: bonds (distance) C4'-P energy: -71.816 bonds (distance) P-C4' energy: -93.664 flat angles C4'-P-C4' energy: -93.957 flat angles P-C4'-P energy: -53.477 tors. eta vs tors. theta energy: -91.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1008.930104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.930104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.930104 (E_RNA) where: Base-Base interactions energy: -633.904 where: short stacking energy: -310.805 Base-Backbone interact. energy: -1.049 local terms energy: -373.977667 where: bonds (distance) C4'-P energy: -86.100 bonds (distance) P-C4' energy: -83.425 flat angles C4'-P-C4' energy: -95.859 flat angles P-C4'-P energy: -49.100 tors. eta vs tors. theta energy: -59.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -818.301428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.301428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.301428 (E_RNA) where: Base-Base interactions energy: -486.657 where: short stacking energy: -237.952 Base-Backbone interact. energy: 2.620 local terms energy: -334.264427 where: bonds (distance) C4'-P energy: -83.360 bonds (distance) P-C4' energy: -94.126 flat angles C4'-P-C4' energy: -77.789 flat angles P-C4'-P energy: -36.395 tors. eta vs tors. theta energy: -42.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -777.400345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.400345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.400345 (E_RNA) where: Base-Base interactions energy: -474.982 where: short stacking energy: -238.771 Base-Backbone interact. energy: 0.163 local terms energy: -302.581343 where: bonds (distance) C4'-P energy: -69.417 bonds (distance) P-C4' energy: -80.142 flat angles C4'-P-C4' energy: -72.725 flat angles P-C4'-P energy: -39.498 tors. eta vs tors. theta energy: -40.800 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: 3 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -446.811942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.811942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.811942 (E_RNA) where: Base-Base interactions energy: -207.667 where: short stacking energy: -137.271 Base-Backbone interact. energy: 2.485 local terms energy: -241.629843 where: bonds (distance) C4'-P energy: -60.426 bonds (distance) P-C4' energy: -73.223 flat angles C4'-P-C4' energy: -68.787 flat angles P-C4'-P energy: -44.201 tors. eta vs tors. theta energy: 5.007 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: 6 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1763.371256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.371256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.371256 (E_RNA) where: Base-Base interactions energy: -1206.226 where: short stacking energy: -548.626 Base-Backbone interact. energy: -3.685 local terms energy: -553.459850 where: bonds (distance) C4'-P energy: -93.002 bonds (distance) P-C4' energy: -102.252 flat angles C4'-P-C4' energy: -113.794 flat angles P-C4'-P energy: -75.623 tors. eta vs tors. theta energy: -168.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1639.973271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.973271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.973271 (E_RNA) where: Base-Base interactions energy: -1118.329 where: short stacking energy: -477.306 Base-Backbone interact. energy: -1.820 local terms energy: -519.825082 where: bonds (distance) C4'-P energy: -91.763 bonds (distance) P-C4' energy: -98.347 flat angles C4'-P-C4' energy: -101.388 flat angles P-C4'-P energy: -82.794 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: 3, replica: 8 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1584.377771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.377771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.377771 (E_RNA) where: Base-Base interactions energy: -1086.916 where: short stacking energy: -462.601 Base-Backbone interact. energy: -1.358 local terms energy: -496.104183 where: bonds (distance) C4'-P energy: -94.254 bonds (distance) P-C4' energy: -96.782 flat angles C4'-P-C4' energy: -90.124 flat angles P-C4'-P energy: -77.848 tors. eta vs tors. theta energy: -137.096 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: 10 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1535.996927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.996927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.996927 (E_RNA) where: Base-Base interactions energy: -1065.623 where: short stacking energy: -469.114 Base-Backbone interact. energy: -2.216 local terms energy: -468.158297 where: bonds (distance) C4'-P energy: -83.978 bonds (distance) P-C4' energy: -98.056 flat angles C4'-P-C4' energy: -101.277 flat angles P-C4'-P energy: -58.473 tors. eta vs tors. theta energy: -126.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1430.050293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.050293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.050293 (E_RNA) where: Base-Base interactions energy: -974.663 where: short stacking energy: -422.495 Base-Backbone interact. energy: -1.415 local terms energy: -453.971867 where: bonds (distance) C4'-P energy: -91.298 bonds (distance) P-C4' energy: -94.852 flat angles C4'-P-C4' energy: -103.279 flat angles P-C4'-P energy: -56.286 tors. eta vs tors. theta energy: -108.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1295.344907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.344907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.344907 (E_RNA) where: Base-Base interactions energy: -874.486 where: short stacking energy: -357.134 Base-Backbone interact. energy: -0.463 local terms energy: -420.395955 where: bonds (distance) C4'-P energy: -91.854 bonds (distance) P-C4' energy: -93.376 flat angles C4'-P-C4' energy: -97.036 flat angles P-C4'-P energy: -42.088 tors. eta vs tors. theta energy: -96.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1000.533978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.533978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.533978 (E_RNA) where: Base-Base interactions energy: -625.246 where: short stacking energy: -309.222 Base-Backbone interact. energy: -0.096 local terms energy: -375.191453 where: bonds (distance) C4'-P energy: -88.533 bonds (distance) P-C4' energy: -92.475 flat angles C4'-P-C4' energy: -74.594 flat angles P-C4'-P energy: -56.709 tors. eta vs tors. theta energy: -62.880 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: 9 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -797.858271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.858271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.858271 (E_RNA) where: Base-Base interactions energy: -491.455 where: short stacking energy: -231.874 Base-Backbone interact. energy: -3.013 local terms energy: -303.390000 where: bonds (distance) C4'-P energy: -85.402 bonds (distance) P-C4' energy: -92.216 flat angles C4'-P-C4' energy: -59.675 flat angles P-C4'-P energy: -45.398 tors. eta vs tors. theta energy: -20.698 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: 9, replica: 1 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -751.181781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.181781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.181781 (E_RNA) where: Base-Base interactions energy: -423.105 where: short stacking energy: -212.601 Base-Backbone interact. energy: 0.662 local terms energy: -328.738475 where: bonds (distance) C4'-P energy: -85.174 bonds (distance) P-C4' energy: -81.078 flat angles C4'-P-C4' energy: -87.913 flat angles P-C4'-P energy: -43.196 tors. eta vs tors. theta energy: -31.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -470.306547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.306547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.306547 (E_RNA) where: Base-Base interactions energy: -230.527 where: short stacking energy: -165.178 Base-Backbone interact. energy: 5.147 local terms energy: -244.926699 where: bonds (distance) C4'-P energy: -71.798 bonds (distance) P-C4' energy: -76.272 flat angles C4'-P-C4' energy: -69.582 flat angles P-C4'-P energy: -27.122 tors. eta vs tors. theta energy: -0.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1758.566443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.566443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.566443 (E_RNA) where: Base-Base interactions energy: -1218.323 where: short stacking energy: -545.019 Base-Backbone interact. energy: -2.594 local terms energy: -537.649184 where: bonds (distance) C4'-P energy: -94.274 bonds (distance) P-C4' energy: -98.647 flat angles C4'-P-C4' energy: -108.207 flat angles P-C4'-P energy: -68.025 tors. eta vs tors. theta energy: -168.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1632.666159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.666159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.666159 (E_RNA) where: Base-Base interactions energy: -1136.706 where: short stacking energy: -486.963 Base-Backbone interact. energy: -0.807 local terms energy: -495.153676 where: bonds (distance) C4'-P energy: -94.989 bonds (distance) P-C4' energy: -90.691 flat angles C4'-P-C4' energy: -102.326 flat angles P-C4'-P energy: -78.922 tors. eta vs tors. theta energy: -128.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1578.962455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.962455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.962455 (E_RNA) where: Base-Base interactions energy: -1081.041 where: short stacking energy: -479.515 Base-Backbone interact. energy: -2.241 local terms energy: -495.680673 where: bonds (distance) C4'-P energy: -82.051 bonds (distance) P-C4' energy: -94.446 flat angles C4'-P-C4' energy: -113.217 flat angles P-C4'-P energy: -75.147 tors. eta vs tors. theta energy: -130.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1480.591573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.591573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.591573 (E_RNA) where: Base-Base interactions energy: -1020.682 where: short stacking energy: -422.277 Base-Backbone interact. energy: 3.499 local terms energy: -463.408624 where: bonds (distance) C4'-P energy: -84.796 bonds (distance) P-C4' energy: -92.822 flat angles C4'-P-C4' energy: -101.164 flat angles P-C4'-P energy: -70.591 tors. eta vs tors. theta energy: -114.035 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: 7 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1429.803493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.803493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.803493 (E_RNA) where: Base-Base interactions energy: -967.205 where: short stacking energy: -418.981 Base-Backbone interact. energy: -1.155 local terms energy: -461.443540 where: bonds (distance) C4'-P energy: -89.298 bonds (distance) P-C4' energy: -88.602 flat angles C4'-P-C4' energy: -97.786 flat angles P-C4'-P energy: -65.797 tors. eta vs tors. theta energy: -119.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1268.539368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.539368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.539368 (E_RNA) where: Base-Base interactions energy: -833.337 where: short stacking energy: -346.881 Base-Backbone interact. energy: 6.987 local terms energy: -442.189246 where: bonds (distance) C4'-P energy: -94.854 bonds (distance) P-C4' energy: -97.208 flat angles C4'-P-C4' energy: -92.900 flat angles P-C4'-P energy: -58.595 tors. eta vs tors. theta energy: -98.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1009.839360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.839360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.839360 (E_RNA) where: Base-Base interactions energy: -627.872 where: short stacking energy: -320.194 Base-Backbone interact. energy: 1.483 local terms energy: -383.449596 where: bonds (distance) C4'-P energy: -70.898 bonds (distance) P-C4' energy: -83.565 flat angles C4'-P-C4' energy: -100.674 flat angles P-C4'-P energy: -57.874 tors. eta vs tors. theta energy: -70.438 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: 9 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -849.254758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.254758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.254758 (E_RNA) where: Base-Base interactions energy: -536.324 where: short stacking energy: -255.317 Base-Backbone interact. energy: -1.837 local terms energy: -311.094407 where: bonds (distance) C4'-P energy: -58.046 bonds (distance) P-C4' energy: -75.308 flat angles C4'-P-C4' energy: -88.100 flat angles P-C4'-P energy: -49.629 tors. eta vs tors. theta energy: -40.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -746.597058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.597058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.597058 (E_RNA) where: Base-Base interactions energy: -439.095 where: short stacking energy: -205.567 Base-Backbone interact. energy: -1.907 local terms energy: -305.594895 where: bonds (distance) C4'-P energy: -78.640 bonds (distance) P-C4' energy: -74.257 flat angles C4'-P-C4' energy: -88.191 flat angles P-C4'-P energy: -36.933 tors. eta vs tors. theta energy: -27.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -518.945830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.945830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.945830 (E_RNA) where: Base-Base interactions energy: -257.089 where: short stacking energy: -135.396 Base-Backbone interact. energy: 4.408 local terms energy: -266.265195 where: bonds (distance) C4'-P energy: -65.982 bonds (distance) P-C4' energy: -94.173 flat angles C4'-P-C4' energy: -69.297 flat angles P-C4'-P energy: -34.918 tors. eta vs tors. theta energy: -1.895 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: 1, replica: 6 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1756.598609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.598609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.598609 (E_RNA) where: Base-Base interactions energy: -1214.773 where: short stacking energy: -543.572 Base-Backbone interact. energy: -2.281 local terms energy: -539.544158 where: bonds (distance) C4'-P energy: -87.427 bonds (distance) P-C4' energy: -93.651 flat angles C4'-P-C4' energy: -122.326 flat angles P-C4'-P energy: -70.042 tors. eta vs tors. theta energy: -166.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1625.275986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.275986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.275986 (E_RNA) where: Base-Base interactions energy: -1138.838 where: short stacking energy: -481.331 Base-Backbone interact. energy: -2.445 local terms energy: -483.993359 where: bonds (distance) C4'-P energy: -99.251 bonds (distance) P-C4' energy: -89.681 flat angles C4'-P-C4' energy: -108.911 flat angles P-C4'-P energy: -65.138 tors. eta vs tors. theta energy: -121.012 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: 8 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1573.314710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.314710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.314710 (E_RNA) where: Base-Base interactions energy: -1077.773 where: short stacking energy: -481.036 Base-Backbone interact. energy: 2.137 local terms energy: -497.678240 where: bonds (distance) C4'-P energy: -85.133 bonds (distance) P-C4' energy: -95.140 flat angles C4'-P-C4' energy: -111.690 flat angles P-C4'-P energy: -69.096 tors. eta vs tors. theta energy: -136.619 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: 343 Temperature: 1.050000 Total energy: -1487.586310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.586310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.586310 (E_RNA) where: Base-Base interactions energy: -1024.291 where: short stacking energy: -418.397 Base-Backbone interact. energy: -1.649 local terms energy: -461.646042 where: bonds (distance) C4'-P energy: -82.341 bonds (distance) P-C4' energy: -91.306 flat angles C4'-P-C4' energy: -100.327 flat angles P-C4'-P energy: -69.153 tors. eta vs tors. theta energy: -118.519 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: 5, replica: 7 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1415.464707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.464707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.464707 (E_RNA) where: Base-Base interactions energy: -976.486 where: short stacking energy: -427.911 Base-Backbone interact. energy: -1.378 local terms energy: -437.601565 where: bonds (distance) C4'-P energy: -65.663 bonds (distance) P-C4' energy: -79.987 flat angles C4'-P-C4' energy: -105.104 flat angles P-C4'-P energy: -67.015 tors. eta vs tors. theta energy: -119.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1228.264981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.264981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.264981 (E_RNA) where: Base-Base interactions energy: -827.236 where: short stacking energy: -379.603 Base-Backbone interact. energy: 7.146 local terms energy: -408.174443 where: bonds (distance) C4'-P energy: -93.222 bonds (distance) P-C4' energy: -80.863 flat angles C4'-P-C4' energy: -77.286 flat angles P-C4'-P energy: -66.595 tors. eta vs tors. theta energy: -90.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1008.043238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.043238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.043238 (E_RNA) where: Base-Base interactions energy: -625.138 where: short stacking energy: -281.223 Base-Backbone interact. energy: 0.283 local terms energy: -383.188514 where: bonds (distance) C4'-P energy: -83.849 bonds (distance) P-C4' energy: -64.436 flat angles C4'-P-C4' energy: -92.788 flat angles P-C4'-P energy: -56.370 tors. eta vs tors. theta energy: -85.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -889.994737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.994737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.994737 (E_RNA) where: Base-Base interactions energy: -575.983 where: short stacking energy: -260.599 Base-Backbone interact. energy: -1.709 local terms energy: -312.302957 where: bonds (distance) C4'-P energy: -67.280 bonds (distance) P-C4' energy: -69.966 flat angles C4'-P-C4' energy: -73.596 flat angles P-C4'-P energy: -62.664 tors. eta vs tors. theta energy: -38.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -779.491111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.491111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.491111 (E_RNA) where: Base-Base interactions energy: -456.193 where: short stacking energy: -245.654 Base-Backbone interact. energy: 2.228 local terms energy: -325.525824 where: bonds (distance) C4'-P energy: -73.988 bonds (distance) P-C4' energy: -79.755 flat angles C4'-P-C4' energy: -87.082 flat angles P-C4'-P energy: -55.026 tors. eta vs tors. theta energy: -29.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -526.915961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.915961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.915961 (E_RNA) where: Base-Base interactions energy: -257.336 where: short stacking energy: -151.592 Base-Backbone interact. energy: 2.203 local terms energy: -271.782955 where: bonds (distance) C4'-P energy: -69.841 bonds (distance) P-C4' energy: -86.544 flat angles C4'-P-C4' energy: -64.716 flat angles P-C4'-P energy: -55.849 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: 1, replica: 6 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1763.138563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.138563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.138563 (E_RNA) where: Base-Base interactions energy: -1215.586 where: short stacking energy: -549.598 Base-Backbone interact. energy: -0.320 local terms energy: -547.231803 where: bonds (distance) C4'-P energy: -101.596 bonds (distance) P-C4' energy: -87.330 flat angles C4'-P-C4' energy: -109.165 flat angles P-C4'-P energy: -81.832 tors. eta vs tors. theta energy: -167.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1652.442951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.442951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.442951 (E_RNA) where: Base-Base interactions energy: -1150.442 where: short stacking energy: -474.881 Base-Backbone interact. energy: -2.078 local terms energy: -499.923424 where: bonds (distance) C4'-P energy: -82.713 bonds (distance) P-C4' energy: -98.278 flat angles C4'-P-C4' energy: -113.167 flat angles P-C4'-P energy: -72.447 tors. eta vs tors. theta energy: -133.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1574.846268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.846268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.846268 (E_RNA) where: Base-Base interactions energy: -1085.479 where: short stacking energy: -474.474 Base-Backbone interact. energy: -4.394 local terms energy: -484.973452 where: bonds (distance) C4'-P energy: -88.744 bonds (distance) P-C4' energy: -89.069 flat angles C4'-P-C4' energy: -109.099 flat angles P-C4'-P energy: -63.019 tors. eta vs tors. theta energy: -135.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1467.794511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.794511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.794511 (E_RNA) where: Base-Base interactions energy: -1011.110 where: short stacking energy: -424.222 Base-Backbone interact. energy: -2.508 local terms energy: -454.176703 where: bonds (distance) C4'-P energy: -81.990 bonds (distance) P-C4' energy: -94.431 flat angles C4'-P-C4' energy: -91.766 flat angles P-C4'-P energy: -73.006 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: 5, replica: 7 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1533.492678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.492678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.492678 (E_RNA) where: Base-Base interactions energy: -1071.352 where: short stacking energy: -437.539 Base-Backbone interact. energy: -0.272 local terms energy: -461.868660 where: bonds (distance) C4'-P energy: -83.430 bonds (distance) P-C4' energy: -82.300 flat angles C4'-P-C4' energy: -101.696 flat angles P-C4'-P energy: -65.662 tors. eta vs tors. theta energy: -128.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1246.530066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.530066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.530066 (E_RNA) where: Base-Base interactions energy: -848.636 where: short stacking energy: -371.806 Base-Backbone interact. energy: -3.231 local terms energy: -394.662858 where: bonds (distance) C4'-P energy: -83.529 bonds (distance) P-C4' energy: -85.408 flat angles C4'-P-C4' energy: -82.183 flat angles P-C4'-P energy: -55.329 tors. eta vs tors. theta energy: -88.214 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: 5 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1035.252467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.252467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.252467 (E_RNA) where: Base-Base interactions energy: -666.402 where: short stacking energy: -294.297 Base-Backbone interact. energy: -1.986 local terms energy: -366.864503 where: bonds (distance) C4'-P energy: -75.287 bonds (distance) P-C4' energy: -70.210 flat angles C4'-P-C4' energy: -99.422 flat angles P-C4'-P energy: -55.578 tors. eta vs tors. theta energy: -66.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -891.068259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.068259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.068259 (E_RNA) where: Base-Base interactions energy: -537.271 where: short stacking energy: -266.136 Base-Backbone interact. energy: -0.241 local terms energy: -353.557068 where: bonds (distance) C4'-P energy: -84.567 bonds (distance) P-C4' energy: -90.702 flat angles C4'-P-C4' energy: -84.308 flat angles P-C4'-P energy: -56.941 tors. eta vs tors. theta energy: -37.039 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: 1 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -768.246870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.246870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.246870 (E_RNA) where: Base-Base interactions energy: -477.924 where: short stacking energy: -238.490 Base-Backbone interact. energy: -0.796 local terms energy: -289.526299 where: bonds (distance) C4'-P energy: -70.819 bonds (distance) P-C4' energy: -69.377 flat angles C4'-P-C4' energy: -75.677 flat angles P-C4'-P energy: -33.138 tors. eta vs tors. theta energy: -40.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -507.996938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.996938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.996938 (E_RNA) where: Base-Base interactions energy: -252.752 where: short stacking energy: -144.783 Base-Backbone interact. energy: 0.450 local terms energy: -255.695239 where: bonds (distance) C4'-P energy: -70.159 bonds (distance) P-C4' energy: -79.627 flat angles C4'-P-C4' energy: -63.013 flat angles P-C4'-P energy: -43.739 tors. eta vs tors. theta energy: 0.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1771.560101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.560101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.560101 (E_RNA) where: Base-Base interactions energy: -1210.080 where: short stacking energy: -536.053 Base-Backbone interact. energy: -2.796 local terms energy: -558.683706 where: bonds (distance) C4'-P energy: -101.598 bonds (distance) P-C4' energy: -96.165 flat angles C4'-P-C4' energy: -112.367 flat angles P-C4'-P energy: -80.089 tors. eta vs tors. theta energy: -168.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1646.611848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.611848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.611848 (E_RNA) where: Base-Base interactions energy: -1127.894 where: short stacking energy: -483.113 Base-Backbone interact. energy: -1.834 local terms energy: -516.883821 where: bonds (distance) C4'-P energy: -93.984 bonds (distance) P-C4' energy: -99.418 flat angles C4'-P-C4' energy: -111.548 flat angles P-C4'-P energy: -68.756 tors. eta vs tors. theta energy: -143.178 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: 345 Temperature: 1.000000 Total energy: -1607.657435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.657435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.657435 (E_RNA) where: Base-Base interactions energy: -1098.183 where: short stacking energy: -471.947 Base-Backbone interact. energy: -0.318 local terms energy: -509.156757 where: bonds (distance) C4'-P energy: -89.732 bonds (distance) P-C4' energy: -98.497 flat angles C4'-P-C4' energy: -100.541 flat angles P-C4'-P energy: -71.552 tors. eta vs tors. theta energy: -148.834 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: 4, replica: 7 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1555.802522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.802522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.802522 (E_RNA) where: Base-Base interactions energy: -1061.266 where: short stacking energy: -438.460 Base-Backbone interact. energy: -1.577 local terms energy: -492.959203 where: bonds (distance) C4'-P energy: -85.106 bonds (distance) P-C4' energy: -92.247 flat angles C4'-P-C4' energy: -109.663 flat angles P-C4'-P energy: -75.983 tors. eta vs tors. theta energy: -129.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1476.056144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.056144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.056144 (E_RNA) where: Base-Base interactions energy: -1037.291 where: short stacking energy: -441.939 Base-Backbone interact. energy: -1.348 local terms energy: -437.416696 where: bonds (distance) C4'-P energy: -69.429 bonds (distance) P-C4' energy: -85.086 flat angles C4'-P-C4' energy: -100.587 flat angles P-C4'-P energy: -63.306 tors. eta vs tors. theta energy: -119.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1224.085316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.085316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.085316 (E_RNA) where: Base-Base interactions energy: -841.346 where: short stacking energy: -368.513 Base-Backbone interact. energy: -0.033 local terms energy: -382.706403 where: bonds (distance) C4'-P energy: -70.721 bonds (distance) P-C4' energy: -85.591 flat angles C4'-P-C4' energy: -87.822 flat angles P-C4'-P energy: -58.213 tors. eta vs tors. theta energy: -80.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1055.911986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.911986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.911986 (E_RNA) where: Base-Base interactions energy: -696.046 where: short stacking energy: -335.737 Base-Backbone interact. energy: -0.616 local terms energy: -359.249904 where: bonds (distance) C4'-P energy: -71.892 bonds (distance) P-C4' energy: -77.229 flat angles C4'-P-C4' energy: -79.762 flat angles P-C4'-P energy: -53.905 tors. eta vs tors. theta energy: -76.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -925.376152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.376152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.376152 (E_RNA) where: Base-Base interactions energy: -603.576 where: short stacking energy: -285.518 Base-Backbone interact. energy: -1.740 local terms energy: -320.060431 where: bonds (distance) C4'-P energy: -71.099 bonds (distance) P-C4' energy: -68.979 flat angles C4'-P-C4' energy: -70.377 flat angles P-C4'-P energy: -55.553 tors. eta vs tors. theta energy: -54.053 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: 1 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -763.071118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.071118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.071118 (E_RNA) where: Base-Base interactions energy: -439.348 where: short stacking energy: -217.431 Base-Backbone interact. energy: 0.413 local terms energy: -324.136671 where: bonds (distance) C4'-P energy: -74.613 bonds (distance) P-C4' energy: -89.150 flat angles C4'-P-C4' energy: -80.503 flat angles P-C4'-P energy: -44.585 tors. eta vs tors. theta energy: -35.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -516.175334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.175334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.175334 (E_RNA) where: Base-Base interactions energy: -278.105 where: short stacking energy: -151.095 Base-Backbone interact. energy: 5.585 local terms energy: -243.655602 where: bonds (distance) C4'-P energy: -82.603 bonds (distance) P-C4' energy: -78.585 flat angles C4'-P-C4' energy: -57.556 flat angles P-C4'-P energy: -47.020 tors. eta vs tors. theta energy: 22.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1756.984163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.984163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.984163 (E_RNA) where: Base-Base interactions energy: -1203.404 where: short stacking energy: -530.249 Base-Backbone interact. energy: -2.397 local terms energy: -551.183423 where: bonds (distance) C4'-P energy: -83.698 bonds (distance) P-C4' energy: -97.814 flat angles C4'-P-C4' energy: -116.711 flat angles P-C4'-P energy: -79.269 tors. eta vs tors. theta energy: -173.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1621.460535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.460535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.460535 (E_RNA) where: Base-Base interactions energy: -1104.913 where: short stacking energy: -499.327 Base-Backbone interact. energy: -1.494 local terms energy: -515.053485 where: bonds (distance) C4'-P energy: -91.387 bonds (distance) P-C4' energy: -85.300 flat angles C4'-P-C4' energy: -111.429 flat angles P-C4'-P energy: -78.801 tors. eta vs tors. theta energy: -148.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1554.346121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.346121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.346121 (E_RNA) where: Base-Base interactions energy: -1067.981 where: short stacking energy: -443.395 Base-Backbone interact. energy: -2.053 local terms energy: -484.312288 where: bonds (distance) C4'-P energy: -90.791 bonds (distance) P-C4' energy: -94.600 flat angles C4'-P-C4' energy: -105.935 flat angles P-C4'-P energy: -63.120 tors. eta vs tors. theta energy: -129.866 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: 7 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1532.336153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.336153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.336153 (E_RNA) where: Base-Base interactions energy: -1027.808 where: short stacking energy: -460.208 Base-Backbone interact. energy: -2.468 local terms energy: -502.059916 where: bonds (distance) C4'-P energy: -86.814 bonds (distance) P-C4' energy: -92.212 flat angles C4'-P-C4' energy: -102.087 flat angles P-C4'-P energy: -74.167 tors. eta vs tors. theta energy: -146.781 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: 10 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1431.903028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.903028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.903028 (E_RNA) where: Base-Base interactions energy: -994.802 where: short stacking energy: -419.167 Base-Backbone interact. energy: 0.572 local terms energy: -437.673639 where: bonds (distance) C4'-P energy: -81.940 bonds (distance) P-C4' energy: -86.550 flat angles C4'-P-C4' energy: -93.856 flat angles P-C4'-P energy: -59.043 tors. eta vs tors. theta energy: -116.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1216.469513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.469513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.469513 (E_RNA) where: Base-Base interactions energy: -774.391 where: short stacking energy: -356.200 Base-Backbone interact. energy: 0.500 local terms energy: -442.578154 where: bonds (distance) C4'-P energy: -100.947 bonds (distance) P-C4' energy: -82.880 flat angles C4'-P-C4' energy: -107.859 flat angles P-C4'-P energy: -68.180 tors. eta vs tors. theta energy: -82.712 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: 7, replica: 5 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -995.850047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.850047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.850047 (E_RNA) where: Base-Base interactions energy: -641.667 where: short stacking energy: -301.410 Base-Backbone interact. energy: 0.522 local terms energy: -354.704953 where: bonds (distance) C4'-P energy: -88.799 bonds (distance) P-C4' energy: -66.350 flat angles C4'-P-C4' energy: -90.173 flat angles P-C4'-P energy: -42.586 tors. eta vs tors. theta energy: -66.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -940.832537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.832537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.832537 (E_RNA) where: Base-Base interactions energy: -578.676 where: short stacking energy: -268.740 Base-Backbone interact. energy: -1.958 local terms energy: -360.199047 where: bonds (distance) C4'-P energy: -59.615 bonds (distance) P-C4' energy: -97.200 flat angles C4'-P-C4' energy: -90.528 flat angles P-C4'-P energy: -57.130 tors. eta vs tors. theta energy: -55.726 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: 1 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -752.766924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.766924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.766924 (E_RNA) where: Base-Base interactions energy: -438.996 where: short stacking energy: -224.187 Base-Backbone interact. energy: 0.898 local terms energy: -314.669040 where: bonds (distance) C4'-P energy: -75.477 bonds (distance) P-C4' energy: -93.181 flat angles C4'-P-C4' energy: -59.046 flat angles P-C4'-P energy: -56.351 tors. eta vs tors. theta energy: -30.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -520.401146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.401146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.401146 (E_RNA) where: Base-Base interactions energy: -239.677 where: short stacking energy: -139.784 Base-Backbone interact. energy: -0.429 local terms energy: -280.295445 where: bonds (distance) C4'-P energy: -89.155 bonds (distance) P-C4' energy: -81.860 flat angles C4'-P-C4' energy: -67.047 flat angles P-C4'-P energy: -36.020 tors. eta vs tors. theta energy: -6.214 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: 1, replica: 6 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1723.189048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.189048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.189048 (E_RNA) where: Base-Base interactions energy: -1185.749 where: short stacking energy: -522.673 Base-Backbone interact. energy: -1.763 local terms energy: -535.677019 where: bonds (distance) C4'-P energy: -94.660 bonds (distance) P-C4' energy: -85.451 flat angles C4'-P-C4' energy: -114.211 flat angles P-C4'-P energy: -82.480 tors. eta vs tors. theta energy: -158.875 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: 8 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1637.977249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.977249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.977249 (E_RNA) where: Base-Base interactions energy: -1128.197 where: short stacking energy: -522.389 Base-Backbone interact. energy: -2.461 local terms energy: -507.319077 where: bonds (distance) C4'-P energy: -88.794 bonds (distance) P-C4' energy: -90.773 flat angles C4'-P-C4' energy: -104.541 flat angles P-C4'-P energy: -68.596 tors. eta vs tors. theta energy: -154.615 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: 2 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1546.664905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.664905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.664905 (E_RNA) where: Base-Base interactions energy: -1067.461 where: short stacking energy: -476.729 Base-Backbone interact. energy: -1.745 local terms energy: -477.458941 where: bonds (distance) C4'-P energy: -86.836 bonds (distance) P-C4' energy: -78.222 flat angles C4'-P-C4' energy: -103.399 flat angles P-C4'-P energy: -72.144 tors. eta vs tors. theta energy: -136.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1532.531329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.531329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.531329 (E_RNA) where: Base-Base interactions energy: -1030.413 where: short stacking energy: -432.411 Base-Backbone interact. energy: 1.535 local terms energy: -503.653046 where: bonds (distance) C4'-P energy: -99.672 bonds (distance) P-C4' energy: -100.178 flat angles C4'-P-C4' energy: -97.585 flat angles P-C4'-P energy: -65.351 tors. eta vs tors. theta energy: -140.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1443.547824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.547824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.547824 (E_RNA) where: Base-Base interactions energy: -987.901 where: short stacking energy: -424.945 Base-Backbone interact. energy: -1.968 local terms energy: -453.678777 where: bonds (distance) C4'-P energy: -85.310 bonds (distance) P-C4' energy: -81.659 flat angles C4'-P-C4' energy: -107.047 flat angles P-C4'-P energy: -68.099 tors. eta vs tors. theta energy: -111.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1233.489669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.489669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.489669 (E_RNA) where: Base-Base interactions energy: -804.056 where: short stacking energy: -365.423 Base-Backbone interact. energy: -0.539 local terms energy: -428.894510 where: bonds (distance) C4'-P energy: -81.120 bonds (distance) P-C4' energy: -90.125 flat angles C4'-P-C4' energy: -85.444 flat angles P-C4'-P energy: -63.355 tors. eta vs tors. theta energy: -108.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1060.408766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.408766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.408766 (E_RNA) where: Base-Base interactions energy: -658.409 where: short stacking energy: -307.294 Base-Backbone interact. energy: 2.167 local terms energy: -404.165972 where: bonds (distance) C4'-P energy: -82.675 bonds (distance) P-C4' energy: -93.482 flat angles C4'-P-C4' energy: -90.268 flat angles P-C4'-P energy: -59.771 tors. eta vs tors. theta energy: -77.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -912.854281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.854281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.854281 (E_RNA) where: Base-Base interactions energy: -579.849 where: short stacking energy: -270.770 Base-Backbone interact. energy: -3.522 local terms energy: -329.482829 where: bonds (distance) C4'-P energy: -91.096 bonds (distance) P-C4' energy: -75.659 flat angles C4'-P-C4' energy: -71.889 flat angles P-C4'-P energy: -47.350 tors. eta vs tors. theta energy: -43.489 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: 1 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -727.770742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.770742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.770742 (E_RNA) where: Base-Base interactions energy: -441.468 where: short stacking energy: -207.991 Base-Backbone interact. energy: -1.346 local terms energy: -284.957129 where: bonds (distance) C4'-P energy: -85.187 bonds (distance) P-C4' energy: -73.842 flat angles C4'-P-C4' energy: -64.304 flat angles P-C4'-P energy: -48.003 tors. eta vs tors. theta energy: -13.622 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: 10, replica: 3 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -520.395474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.395474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.395474 (E_RNA) where: Base-Base interactions energy: -246.146 where: short stacking energy: -138.988 Base-Backbone interact. energy: -1.574 local terms energy: -272.675655 where: bonds (distance) C4'-P energy: -81.069 bonds (distance) P-C4' energy: -80.108 flat angles C4'-P-C4' energy: -80.468 flat angles P-C4'-P energy: -41.674 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: 1, replica: 8 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1688.270254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.270254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.270254 (E_RNA) where: Base-Base interactions energy: -1140.740 where: short stacking energy: -506.866 Base-Backbone interact. energy: -0.929 local terms energy: -546.600883 where: bonds (distance) C4'-P energy: -102.295 bonds (distance) P-C4' energy: -108.154 flat angles C4'-P-C4' energy: -107.904 flat angles P-C4'-P energy: -76.716 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: 2, replica: 6 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1723.263540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.263540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.263540 (E_RNA) where: Base-Base interactions energy: -1172.553 where: short stacking energy: -527.614 Base-Backbone interact. energy: -0.946 local terms energy: -549.764527 where: bonds (distance) C4'-P energy: -91.728 bonds (distance) P-C4' energy: -100.275 flat angles C4'-P-C4' energy: -114.652 flat angles P-C4'-P energy: -75.497 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: 3, replica: 2 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1576.131291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.131291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.131291 (E_RNA) where: Base-Base interactions energy: -1069.408 where: short stacking energy: -465.261 Base-Backbone interact. energy: -1.543 local terms energy: -505.180992 where: bonds (distance) C4'-P energy: -97.684 bonds (distance) P-C4' energy: -96.094 flat angles C4'-P-C4' energy: -104.653 flat angles P-C4'-P energy: -73.084 tors. eta vs tors. theta energy: -133.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1520.762839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.762839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.762839 (E_RNA) where: Base-Base interactions energy: -1031.918 where: short stacking energy: -444.753 Base-Backbone interact. energy: -2.353 local terms energy: -486.492045 where: bonds (distance) C4'-P energy: -103.850 bonds (distance) P-C4' energy: -94.040 flat angles C4'-P-C4' energy: -96.488 flat angles P-C4'-P energy: -54.552 tors. eta vs tors. theta energy: -137.562 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: 10 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1458.745948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.745948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.745948 (E_RNA) where: Base-Base interactions energy: -1025.182 where: short stacking energy: -438.663 Base-Backbone interact. energy: -1.162 local terms energy: -432.402305 where: bonds (distance) C4'-P energy: -77.408 bonds (distance) P-C4' energy: -87.308 flat angles C4'-P-C4' energy: -100.017 flat angles P-C4'-P energy: -54.280 tors. eta vs tors. theta energy: -113.390 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: 4 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1239.662112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.662112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.662112 (E_RNA) where: Base-Base interactions energy: -811.381 where: short stacking energy: -363.127 Base-Backbone interact. energy: -0.550 local terms energy: -427.731799 where: bonds (distance) C4'-P energy: -93.004 bonds (distance) P-C4' energy: -93.074 flat angles C4'-P-C4' energy: -92.397 flat angles P-C4'-P energy: -50.588 tors. eta vs tors. theta energy: -98.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1049.854089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.854089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.854089 (E_RNA) where: Base-Base interactions energy: -681.625 where: short stacking energy: -324.794 Base-Backbone interact. energy: -1.858 local terms energy: -366.370903 where: bonds (distance) C4'-P energy: -70.142 bonds (distance) P-C4' energy: -83.274 flat angles C4'-P-C4' energy: -84.231 flat angles P-C4'-P energy: -51.207 tors. eta vs tors. theta energy: -77.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -863.427030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.427030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.427030 (E_RNA) where: Base-Base interactions energy: -564.654 where: short stacking energy: -253.892 Base-Backbone interact. energy: 0.601 local terms energy: -299.374561 where: bonds (distance) C4'-P energy: -67.971 bonds (distance) P-C4' energy: -70.485 flat angles C4'-P-C4' energy: -81.538 flat angles P-C4'-P energy: -41.337 tors. eta vs tors. theta energy: -38.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -740.062360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.062360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.062360 (E_RNA) where: Base-Base interactions energy: -412.445 where: short stacking energy: -206.390 Base-Backbone interact. energy: -1.504 local terms energy: -326.112809 where: bonds (distance) C4'-P energy: -89.637 bonds (distance) P-C4' energy: -88.022 flat angles C4'-P-C4' energy: -88.003 flat angles P-C4'-P energy: -44.117 tors. eta vs tors. theta energy: -16.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -523.194872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.194872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.194872 (E_RNA) where: Base-Base interactions energy: -281.597 where: short stacking energy: -163.717 Base-Backbone interact. energy: -0.577 local terms energy: -241.020261 where: bonds (distance) C4'-P energy: -81.523 bonds (distance) P-C4' energy: -83.005 flat angles C4'-P-C4' energy: -55.350 flat angles P-C4'-P energy: -15.572 tors. eta vs tors. theta energy: -5.570 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: 349 Temperature: 0.900000 Total energy: -1680.144355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.144355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.144355 (E_RNA) where: Base-Base interactions energy: -1153.615 where: short stacking energy: -513.495 Base-Backbone interact. energy: -1.911 local terms energy: -524.618174 where: bonds (distance) C4'-P energy: -92.406 bonds (distance) P-C4' energy: -88.522 flat angles C4'-P-C4' energy: -113.391 flat angles P-C4'-P energy: -82.518 tors. eta vs tors. theta energy: -147.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1714.481418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.481418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.481418 (E_RNA) where: Base-Base interactions energy: -1164.558 where: short stacking energy: -520.447 Base-Backbone interact. energy: -0.172 local terms energy: -549.751646 where: bonds (distance) C4'-P energy: -100.287 bonds (distance) P-C4' energy: -99.967 flat angles C4'-P-C4' energy: -109.157 flat angles P-C4'-P energy: -74.885 tors. eta vs tors. theta energy: -165.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1585.921373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.921373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.921373 (E_RNA) where: Base-Base interactions energy: -1069.152 where: short stacking energy: -484.922 Base-Backbone interact. energy: -1.795 local terms energy: -514.974125 where: bonds (distance) C4'-P energy: -94.490 bonds (distance) P-C4' energy: -94.906 flat angles C4'-P-C4' energy: -114.251 flat angles P-C4'-P energy: -65.845 tors. eta vs tors. theta energy: -145.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1523.090021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.090021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.090021 (E_RNA) where: Base-Base interactions energy: -1023.912 where: short stacking energy: -444.044 Base-Backbone interact. energy: -1.528 local terms energy: -497.649798 where: bonds (distance) C4'-P energy: -94.788 bonds (distance) P-C4' energy: -86.880 flat angles C4'-P-C4' energy: -98.124 flat angles P-C4'-P energy: -76.208 tors. eta vs tors. theta energy: -141.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1484.083980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.083980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.083980 (E_RNA) where: Base-Base interactions energy: -1020.069 where: short stacking energy: -415.373 Base-Backbone interact. energy: 1.002 local terms energy: -465.016599 where: bonds (distance) C4'-P energy: -84.181 bonds (distance) P-C4' energy: -80.470 flat angles C4'-P-C4' energy: -103.349 flat angles P-C4'-P energy: -71.847 tors. eta vs tors. theta energy: -125.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1211.566584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.566584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.566584 (E_RNA) where: Base-Base interactions energy: -809.312 where: short stacking energy: -356.292 Base-Backbone interact. energy: -0.042 local terms energy: -402.211771 where: bonds (distance) C4'-P energy: -101.202 bonds (distance) P-C4' energy: -61.995 flat angles C4'-P-C4' energy: -87.359 flat angles P-C4'-P energy: -72.938 tors. eta vs tors. theta energy: -78.718 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: 5 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -953.375202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.375202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.375202 (E_RNA) where: Base-Base interactions energy: -604.195 where: short stacking energy: -247.191 Base-Backbone interact. energy: 5.262 local terms energy: -354.441854 where: bonds (distance) C4'-P energy: -87.803 bonds (distance) P-C4' energy: -84.806 flat angles C4'-P-C4' energy: -92.563 flat angles P-C4'-P energy: -47.670 tors. eta vs tors. theta energy: -41.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -873.464968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.464968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.464968 (E_RNA) where: Base-Base interactions energy: -537.951 where: short stacking energy: -240.282 Base-Backbone interact. energy: -0.874 local terms energy: -334.639120 where: bonds (distance) C4'-P energy: -92.516 bonds (distance) P-C4' energy: -69.445 flat angles C4'-P-C4' energy: -87.357 flat angles P-C4'-P energy: -43.564 tors. eta vs tors. theta energy: -41.756 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: 1 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -740.908118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.908118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.908118 (E_RNA) where: Base-Base interactions energy: -435.621 where: short stacking energy: -200.125 Base-Backbone interact. energy: 1.884 local terms energy: -307.171028 where: bonds (distance) C4'-P energy: -93.338 bonds (distance) P-C4' energy: -70.800 flat angles C4'-P-C4' energy: -75.642 flat angles P-C4'-P energy: -52.425 tors. eta vs tors. theta energy: -14.966 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: 3 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -545.810826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.810826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.810826 (E_RNA) where: Base-Base interactions energy: -262.074 where: short stacking energy: -168.765 Base-Backbone interact. energy: -1.629 local terms energy: -282.107714 where: bonds (distance) C4'-P energy: -74.114 bonds (distance) P-C4' energy: -78.062 flat angles C4'-P-C4' energy: -81.017 flat angles P-C4'-P energy: -36.255 tors. eta vs tors. theta energy: -12.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1761.563366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.563366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.563366 (E_RNA) where: Base-Base interactions energy: -1189.675 where: short stacking energy: -533.731 Base-Backbone interact. energy: -1.374 local terms energy: -570.513792 where: bonds (distance) C4'-P energy: -100.961 bonds (distance) P-C4' energy: -108.031 flat angles C4'-P-C4' energy: -111.477 flat angles P-C4'-P energy: -79.557 tors. eta vs tors. theta energy: -170.486 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: 8 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1656.580193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.580193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.580193 (E_RNA) where: Base-Base interactions energy: -1144.934 where: short stacking energy: -494.065 Base-Backbone interact. energy: -1.169 local terms energy: -510.476993 where: bonds (distance) C4'-P energy: -94.954 bonds (distance) P-C4' energy: -99.695 flat angles C4'-P-C4' energy: -105.616 flat angles P-C4'-P energy: -64.591 tors. eta vs tors. theta energy: -145.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1564.526891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.526891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.526891 (E_RNA) where: Base-Base interactions energy: -1061.223 where: short stacking energy: -444.322 Base-Backbone interact. energy: -0.900 local terms energy: -502.403419 where: bonds (distance) C4'-P energy: -89.697 bonds (distance) P-C4' energy: -100.393 flat angles C4'-P-C4' energy: -96.042 flat angles P-C4'-P energy: -73.004 tors. eta vs tors. theta energy: -143.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1504.432049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.432049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.432049 (E_RNA) where: Base-Base interactions energy: -1026.583 where: short stacking energy: -444.507 Base-Backbone interact. energy: -2.508 local terms energy: -475.340974 where: bonds (distance) C4'-P energy: -82.102 bonds (distance) P-C4' energy: -91.530 flat angles C4'-P-C4' energy: -101.472 flat angles P-C4'-P energy: -69.799 tors. eta vs tors. theta energy: -130.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1451.954689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.954689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.954689 (E_RNA) where: Base-Base interactions energy: -995.693 where: short stacking energy: -450.012 Base-Backbone interact. energy: 1.226 local terms energy: -457.487746 where: bonds (distance) C4'-P energy: -76.692 bonds (distance) P-C4' energy: -101.919 flat angles C4'-P-C4' energy: -95.312 flat angles P-C4'-P energy: -63.587 tors. eta vs tors. theta energy: -119.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1227.747444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.747444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.747444 (E_RNA) where: Base-Base interactions energy: -836.612 where: short stacking energy: -329.818 Base-Backbone interact. energy: 3.314 local terms energy: -394.449492 where: bonds (distance) C4'-P energy: -78.264 bonds (distance) P-C4' energy: -73.185 flat angles C4'-P-C4' energy: -100.967 flat angles P-C4'-P energy: -60.062 tors. eta vs tors. theta energy: -81.972 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: 5 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -992.469055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.469055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.469055 (E_RNA) where: Base-Base interactions energy: -634.019 where: short stacking energy: -303.902 Base-Backbone interact. energy: -1.440 local terms energy: -357.009374 where: bonds (distance) C4'-P energy: -70.889 bonds (distance) P-C4' energy: -93.473 flat angles C4'-P-C4' energy: -103.440 flat angles P-C4'-P energy: -37.733 tors. eta vs tors. theta energy: -51.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -864.589798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.589798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.589798 (E_RNA) where: Base-Base interactions energy: -542.775 where: short stacking energy: -225.291 Base-Backbone interact. energy: -2.341 local terms energy: -319.474069 where: bonds (distance) C4'-P energy: -86.746 bonds (distance) P-C4' energy: -79.124 flat angles C4'-P-C4' energy: -65.839 flat angles P-C4'-P energy: -59.655 tors. eta vs tors. theta energy: -28.109 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: 1 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -704.822706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.822706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.822706 (E_RNA) where: Base-Base interactions energy: -390.092 where: short stacking energy: -188.167 Base-Backbone interact. energy: -0.733 local terms energy: -313.998131 where: bonds (distance) C4'-P energy: -80.698 bonds (distance) P-C4' energy: -82.320 flat angles C4'-P-C4' energy: -78.244 flat angles P-C4'-P energy: -41.254 tors. eta vs tors. theta energy: -31.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -576.797018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.797018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.797018 (E_RNA) where: Base-Base interactions energy: -302.783 where: short stacking energy: -170.484 Base-Backbone interact. energy: -1.481 local terms energy: -272.533478 where: bonds (distance) C4'-P energy: -52.596 bonds (distance) P-C4' energy: -86.111 flat angles C4'-P-C4' energy: -81.267 flat angles P-C4'-P energy: -41.463 tors. eta vs tors. theta energy: -11.097 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: 6 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1742.242319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.242319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.242319 (E_RNA) where: Base-Base interactions energy: -1194.889 where: short stacking energy: -533.145 Base-Backbone interact. energy: -0.607 local terms energy: -546.745699 where: bonds (distance) C4'-P energy: -94.356 bonds (distance) P-C4' energy: -98.988 flat angles C4'-P-C4' energy: -114.029 flat angles P-C4'-P energy: -75.414 tors. eta vs tors. theta energy: -163.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1683.385573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.385573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.385573 (E_RNA) where: Base-Base interactions energy: -1153.767 where: short stacking energy: -497.468 Base-Backbone interact. energy: -1.143 local terms energy: -528.475705 where: bonds (distance) C4'-P energy: -89.159 bonds (distance) P-C4' energy: -102.246 flat angles C4'-P-C4' energy: -116.409 flat angles P-C4'-P energy: -75.043 tors. eta vs tors. theta energy: -145.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1539.565278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.565278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.565278 (E_RNA) where: Base-Base interactions energy: -1077.562 where: short stacking energy: -454.266 Base-Backbone interact. energy: -1.978 local terms energy: -460.025919 where: bonds (distance) C4'-P energy: -83.698 bonds (distance) P-C4' energy: -88.841 flat angles C4'-P-C4' energy: -101.021 flat angles P-C4'-P energy: -54.620 tors. eta vs tors. theta energy: -131.845 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: 4, replica: 10 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1506.334582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.334582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.334582 (E_RNA) where: Base-Base interactions energy: -1051.506 where: short stacking energy: -434.382 Base-Backbone interact. energy: -0.525 local terms energy: -454.304091 where: bonds (distance) C4'-P energy: -84.212 bonds (distance) P-C4' energy: -88.295 flat angles C4'-P-C4' energy: -95.185 flat angles P-C4'-P energy: -72.160 tors. eta vs tors. theta energy: -114.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1487.015065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.015065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.015065 (E_RNA) where: Base-Base interactions energy: -1012.077 where: short stacking energy: -432.037 Base-Backbone interact. energy: -2.111 local terms energy: -472.827501 where: bonds (distance) C4'-P energy: -84.043 bonds (distance) P-C4' energy: -93.980 flat angles C4'-P-C4' energy: -99.607 flat angles P-C4'-P energy: -70.951 tors. eta vs tors. theta energy: -124.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1288.482828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.482828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.482828 (E_RNA) where: Base-Base interactions energy: -844.324 where: short stacking energy: -353.622 Base-Backbone interact. energy: -1.874 local terms energy: -442.284776 where: bonds (distance) C4'-P energy: -87.842 bonds (distance) P-C4' energy: -96.537 flat angles C4'-P-C4' energy: -89.683 flat angles P-C4'-P energy: -68.456 tors. eta vs tors. theta energy: -99.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1019.381882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.381882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.381882 (E_RNA) where: Base-Base interactions energy: -642.200 where: short stacking energy: -317.453 Base-Backbone interact. energy: -3.225 local terms energy: -373.957131 where: bonds (distance) C4'-P energy: -72.585 bonds (distance) P-C4' energy: -87.575 flat angles C4'-P-C4' energy: -86.088 flat angles P-C4'-P energy: -56.580 tors. eta vs tors. theta energy: -71.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -890.888746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.888746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.888746 (E_RNA) where: Base-Base interactions energy: -523.486 where: short stacking energy: -240.993 Base-Backbone interact. energy: 2.504 local terms energy: -369.907703 where: bonds (distance) C4'-P energy: -88.999 bonds (distance) P-C4' energy: -75.915 flat angles C4'-P-C4' energy: -98.696 flat angles P-C4'-P energy: -57.549 tors. eta vs tors. theta energy: -48.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -690.461292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.461292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.461292 (E_RNA) where: Base-Base interactions energy: -398.615 where: short stacking energy: -193.454 Base-Backbone interact. energy: -0.346 local terms energy: -291.500864 where: bonds (distance) C4'-P energy: -62.271 bonds (distance) P-C4' energy: -90.338 flat angles C4'-P-C4' energy: -62.072 flat angles P-C4'-P energy: -58.620 tors. eta vs tors. theta energy: -18.201 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: 3 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -550.420055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.420055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.420055 (E_RNA) where: Base-Base interactions energy: -258.622 where: short stacking energy: -143.855 Base-Backbone interact. energy: -0.911 local terms energy: -290.887072 where: bonds (distance) C4'-P energy: -74.376 bonds (distance) P-C4' energy: -91.110 flat angles C4'-P-C4' energy: -77.256 flat angles P-C4'-P energy: -39.198 tors. eta vs tors. theta energy: -8.947 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: 6 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1725.193474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.193474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.193474 (E_RNA) where: Base-Base interactions energy: -1173.877 where: short stacking energy: -531.347 Base-Backbone interact. energy: -1.970 local terms energy: -549.346812 where: bonds (distance) C4'-P energy: -96.712 bonds (distance) P-C4' energy: -105.513 flat angles C4'-P-C4' energy: -108.080 flat angles P-C4'-P energy: -77.136 tors. eta vs tors. theta energy: -161.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1640.915805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.915805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.915805 (E_RNA) where: Base-Base interactions energy: -1128.770 where: short stacking energy: -497.030 Base-Backbone interact. energy: -2.128 local terms energy: -510.017820 where: bonds (distance) C4'-P energy: -107.500 bonds (distance) P-C4' energy: -86.133 flat angles C4'-P-C4' energy: -112.119 flat angles P-C4'-P energy: -67.194 tors. eta vs tors. theta energy: -137.071 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: 3, replica: 7 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1540.298849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.298849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.298849 (E_RNA) where: Base-Base interactions energy: -1075.671 where: short stacking energy: -453.469 Base-Backbone interact. energy: -1.151 local terms energy: -463.476368 where: bonds (distance) C4'-P energy: -79.725 bonds (distance) P-C4' energy: -85.322 flat angles C4'-P-C4' energy: -103.880 flat angles P-C4'-P energy: -64.151 tors. eta vs tors. theta energy: -130.399 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: 10 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1520.642813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.642813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.642813 (E_RNA) where: Base-Base interactions energy: -1051.244 where: short stacking energy: -427.338 Base-Backbone interact. energy: -3.933 local terms energy: -465.466236 where: bonds (distance) C4'-P energy: -85.905 bonds (distance) P-C4' energy: -92.167 flat angles C4'-P-C4' energy: -105.510 flat angles P-C4'-P energy: -64.167 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: 5, replica: 2 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1479.415026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.415026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.415026 (E_RNA) where: Base-Base interactions energy: -1022.810 where: short stacking energy: -444.999 Base-Backbone interact. energy: -1.604 local terms energy: -455.001427 where: bonds (distance) C4'-P energy: -80.502 bonds (distance) P-C4' energy: -91.823 flat angles C4'-P-C4' energy: -98.179 flat angles P-C4'-P energy: -58.286 tors. eta vs tors. theta energy: -126.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1239.106511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.106511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.106511 (E_RNA) where: Base-Base interactions energy: -849.791 where: short stacking energy: -374.832 Base-Backbone interact. energy: -1.860 local terms energy: -387.455352 where: bonds (distance) C4'-P energy: -69.437 bonds (distance) P-C4' energy: -82.667 flat angles C4'-P-C4' energy: -83.262 flat angles P-C4'-P energy: -50.986 tors. eta vs tors. theta energy: -101.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1001.362186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.362186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.362186 (E_RNA) where: Base-Base interactions energy: -627.109 where: short stacking energy: -307.416 Base-Backbone interact. energy: 0.598 local terms energy: -374.850511 where: bonds (distance) C4'-P energy: -75.638 bonds (distance) P-C4' energy: -89.431 flat angles C4'-P-C4' energy: -82.726 flat angles P-C4'-P energy: -59.895 tors. eta vs tors. theta energy: -67.160 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: 9 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -924.798013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.798013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.798013 (E_RNA) where: Base-Base interactions energy: -589.600 where: short stacking energy: -253.505 Base-Backbone interact. energy: 0.239 local terms energy: -335.437085 where: bonds (distance) C4'-P energy: -78.047 bonds (distance) P-C4' energy: -79.117 flat angles C4'-P-C4' energy: -76.264 flat angles P-C4'-P energy: -58.703 tors. eta vs tors. theta energy: -43.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -739.405955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.405955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.405955 (E_RNA) where: Base-Base interactions energy: -424.026 where: short stacking energy: -224.927 Base-Backbone interact. energy: -0.936 local terms energy: -314.443785 where: bonds (distance) C4'-P energy: -75.939 bonds (distance) P-C4' energy: -82.728 flat angles C4'-P-C4' energy: -88.197 flat angles P-C4'-P energy: -40.715 tors. eta vs tors. theta energy: -26.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -531.989090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.989090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.989090 (E_RNA) where: Base-Base interactions energy: -277.137 where: short stacking energy: -155.258 Base-Backbone interact. energy: 6.023 local terms energy: -260.874599 where: bonds (distance) C4'-P energy: -71.876 bonds (distance) P-C4' energy: -77.046 flat angles C4'-P-C4' energy: -74.833 flat angles P-C4'-P energy: -44.643 tors. eta vs tors. theta energy: 7.522 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: 6 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1763.870789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.870789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.870789 (E_RNA) where: Base-Base interactions energy: -1199.851 where: short stacking energy: -538.608 Base-Backbone interact. energy: -3.957 local terms energy: -560.062067 where: bonds (distance) C4'-P energy: -95.167 bonds (distance) P-C4' energy: -95.541 flat angles C4'-P-C4' energy: -120.520 flat angles P-C4'-P energy: -77.496 tors. eta vs tors. theta energy: -171.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1615.328745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.328745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.328745 (E_RNA) where: Base-Base interactions energy: -1102.413 where: short stacking energy: -481.480 Base-Backbone interact. energy: 1.197 local terms energy: -514.112953 where: bonds (distance) C4'-P energy: -88.240 bonds (distance) P-C4' energy: -97.419 flat angles C4'-P-C4' energy: -106.498 flat angles P-C4'-P energy: -77.046 tors. eta vs tors. theta energy: -144.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1596.251781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.251781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.251781 (E_RNA) where: Base-Base interactions energy: -1095.188 where: short stacking energy: -475.339 Base-Backbone interact. energy: -2.027 local terms energy: -499.036314 where: bonds (distance) C4'-P energy: -102.865 bonds (distance) P-C4' energy: -93.243 flat angles C4'-P-C4' energy: -111.915 flat angles P-C4'-P energy: -58.674 tors. eta vs tors. theta energy: -132.340 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: 10 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1492.073665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.073665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.073665 (E_RNA) where: Base-Base interactions energy: -1042.033 where: short stacking energy: -431.161 Base-Backbone interact. energy: 4.699 local terms energy: -454.739977 where: bonds (distance) C4'-P energy: -73.601 bonds (distance) P-C4' energy: -87.580 flat angles C4'-P-C4' energy: -103.987 flat angles P-C4'-P energy: -66.343 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: 5, replica: 2 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1487.093230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.093230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.093230 (E_RNA) where: Base-Base interactions energy: -1017.713 where: short stacking energy: -459.812 Base-Backbone interact. energy: 0.026 local terms energy: -469.405867 where: bonds (distance) C4'-P energy: -67.196 bonds (distance) P-C4' energy: -81.522 flat angles C4'-P-C4' energy: -112.934 flat angles P-C4'-P energy: -65.085 tors. eta vs tors. theta energy: -142.668 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: 4 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -1243.877329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.877329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.877329 (E_RNA) where: Base-Base interactions energy: -838.549 where: short stacking energy: -336.577 Base-Backbone interact. energy: 1.603 local terms energy: -406.931337 where: bonds (distance) C4'-P energy: -79.050 bonds (distance) P-C4' energy: -85.324 flat angles C4'-P-C4' energy: -92.242 flat angles P-C4'-P energy: -61.435 tors. eta vs tors. theta energy: -88.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1047.378096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.378096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.378096 (E_RNA) where: Base-Base interactions energy: -671.826 where: short stacking energy: -316.683 Base-Backbone interact. energy: 1.485 local terms energy: -377.037655 where: bonds (distance) C4'-P energy: -80.107 bonds (distance) P-C4' energy: -76.158 flat angles C4'-P-C4' energy: -86.653 flat angles P-C4'-P energy: -63.491 tors. eta vs tors. theta energy: -70.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -952.294173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.294173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.294173 (E_RNA) where: Base-Base interactions energy: -665.257 where: short stacking energy: -276.348 Base-Backbone interact. energy: 0.693 local terms energy: -287.729488 where: bonds (distance) C4'-P energy: -77.607 bonds (distance) P-C4' energy: -80.021 flat angles C4'-P-C4' energy: -60.896 flat angles P-C4'-P energy: -31.873 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: 9, replica: 1 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -719.368517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.368517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.368517 (E_RNA) where: Base-Base interactions energy: -393.842 where: short stacking energy: -191.317 Base-Backbone interact. energy: -0.480 local terms energy: -325.046360 where: bonds (distance) C4'-P energy: -85.526 bonds (distance) P-C4' energy: -94.425 flat angles C4'-P-C4' energy: -74.926 flat angles P-C4'-P energy: -53.131 tors. eta vs tors. theta energy: -17.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -590.942801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.942801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.942801 (E_RNA) where: Base-Base interactions energy: -317.213 where: short stacking energy: -148.945 Base-Backbone interact. energy: 1.850 local terms energy: -275.579637 where: bonds (distance) C4'-P energy: -87.531 bonds (distance) P-C4' energy: -83.699 flat angles C4'-P-C4' energy: -70.165 flat angles P-C4'-P energy: -31.139 tors. eta vs tors. theta energy: -3.047 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: 6 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1777.095561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.095561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.095561 (E_RNA) where: Base-Base interactions energy: -1203.145 where: short stacking energy: -547.332 Base-Backbone interact. energy: -2.224 local terms energy: -571.726345 where: bonds (distance) C4'-P energy: -107.254 bonds (distance) P-C4' energy: -104.287 flat angles C4'-P-C4' energy: -113.597 flat angles P-C4'-P energy: -79.051 tors. eta vs tors. theta energy: -167.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1628.734107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.734107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.734107 (E_RNA) where: Base-Base interactions energy: -1118.921 where: short stacking energy: -493.958 Base-Backbone interact. energy: -4.505 local terms energy: -505.307577 where: bonds (distance) C4'-P energy: -96.465 bonds (distance) P-C4' energy: -94.924 flat angles C4'-P-C4' energy: -103.607 flat angles P-C4'-P energy: -79.446 tors. eta vs tors. theta energy: -130.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1563.041988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.041988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.041988 (E_RNA) where: Base-Base interactions energy: -1082.187 where: short stacking energy: -455.238 Base-Backbone interact. energy: 1.634 local terms energy: -482.489422 where: bonds (distance) C4'-P energy: -95.704 bonds (distance) P-C4' energy: -81.677 flat angles C4'-P-C4' energy: -102.819 flat angles P-C4'-P energy: -73.009 tors. eta vs tors. theta energy: -129.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1475.871082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.871082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.871082 (E_RNA) where: Base-Base interactions energy: -1039.918 where: short stacking energy: -434.472 Base-Backbone interact. energy: -1.984 local terms energy: -433.969012 where: bonds (distance) C4'-P energy: -86.662 bonds (distance) P-C4' energy: -88.679 flat angles C4'-P-C4' energy: -95.436 flat angles P-C4'-P energy: -43.392 tors. eta vs tors. theta energy: -119.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -1445.815691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.815691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.815691 (E_RNA) where: Base-Base interactions energy: -986.158 where: short stacking energy: -454.428 Base-Backbone interact. energy: -0.429 local terms energy: -459.228642 where: bonds (distance) C4'-P energy: -97.772 bonds (distance) P-C4' energy: -83.685 flat angles C4'-P-C4' energy: -90.873 flat angles P-C4'-P energy: -54.031 tors. eta vs tors. theta energy: -132.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1225.012365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.012365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.012365 (E_RNA) where: Base-Base interactions energy: -825.088 where: short stacking energy: -335.387 Base-Backbone interact. energy: -1.349 local terms energy: -398.574776 where: bonds (distance) C4'-P energy: -80.357 bonds (distance) P-C4' energy: -96.117 flat angles C4'-P-C4' energy: -86.600 flat angles P-C4'-P energy: -52.344 tors. eta vs tors. theta energy: -83.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1025.315847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.315847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.315847 (E_RNA) where: Base-Base interactions energy: -657.467 where: short stacking energy: -297.780 Base-Backbone interact. energy: 1.836 local terms energy: -369.685596 where: bonds (distance) C4'-P energy: -73.996 bonds (distance) P-C4' energy: -80.628 flat angles C4'-P-C4' energy: -89.849 flat angles P-C4'-P energy: -56.335 tors. eta vs tors. theta energy: -68.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -971.604413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.604413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.604413 (E_RNA) where: Base-Base interactions energy: -628.453 where: short stacking energy: -271.516 Base-Backbone interact. energy: 1.277 local terms energy: -344.428695 where: bonds (distance) C4'-P energy: -86.207 bonds (distance) P-C4' energy: -97.153 flat angles C4'-P-C4' energy: -68.842 flat angles P-C4'-P energy: -49.050 tors. eta vs tors. theta energy: -43.177 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: 1 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -750.373693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.373693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.373693 (E_RNA) where: Base-Base interactions energy: -424.024 where: short stacking energy: -228.481 Base-Backbone interact. energy: -2.052 local terms energy: -324.297654 where: bonds (distance) C4'-P energy: -88.415 bonds (distance) P-C4' energy: -85.000 flat angles C4'-P-C4' energy: -80.594 flat angles P-C4'-P energy: -39.712 tors. eta vs tors. theta energy: -30.577 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: 10, replica: 3 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -637.266785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.266785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.266785 (E_RNA) where: Base-Base interactions energy: -327.759 where: short stacking energy: -184.141 Base-Backbone interact. energy: 1.793 local terms energy: -311.301548 where: bonds (distance) C4'-P energy: -80.416 bonds (distance) P-C4' energy: -92.780 flat angles C4'-P-C4' energy: -76.296 flat angles P-C4'-P energy: -55.208 tors. eta vs tors. theta energy: -6.601 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: 6 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1770.330651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.330651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.330651 (E_RNA) where: Base-Base interactions energy: -1211.440 where: short stacking energy: -561.199 Base-Backbone interact. energy: 0.533 local terms energy: -559.424235 where: bonds (distance) C4'-P energy: -95.938 bonds (distance) P-C4' energy: -95.578 flat angles C4'-P-C4' energy: -113.515 flat angles P-C4'-P energy: -84.330 tors. eta vs tors. theta energy: -170.064 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: 355 Temperature: 0.950000 Total energy: -1637.012203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.012203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.012203 (E_RNA) where: Base-Base interactions energy: -1147.218 where: short stacking energy: -502.888 Base-Backbone interact. energy: -0.086 local terms energy: -489.708261 where: bonds (distance) C4'-P energy: -86.870 bonds (distance) P-C4' energy: -87.810 flat angles C4'-P-C4' energy: -109.779 flat angles P-C4'-P energy: -64.283 tors. eta vs tors. theta energy: -140.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1561.516857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.516857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.516857 (E_RNA) where: Base-Base interactions energy: -1090.465 where: short stacking energy: -443.167 Base-Backbone interact. energy: 0.542 local terms energy: -471.593852 where: bonds (distance) C4'-P energy: -74.446 bonds (distance) P-C4' energy: -87.663 flat angles C4'-P-C4' energy: -110.239 flat angles P-C4'-P energy: -72.149 tors. eta vs tors. theta energy: -127.097 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: 10 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1479.183191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.183191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.183191 (E_RNA) where: Base-Base interactions energy: -1030.861 where: short stacking energy: -434.461 Base-Backbone interact. energy: -1.871 local terms energy: -446.450564 where: bonds (distance) C4'-P energy: -69.972 bonds (distance) P-C4' energy: -91.929 flat angles C4'-P-C4' energy: -85.210 flat angles P-C4'-P energy: -71.416 tors. eta vs tors. theta energy: -127.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1458.814115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.814115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.814115 (E_RNA) where: Base-Base interactions energy: -978.220 where: short stacking energy: -437.509 Base-Backbone interact. energy: -1.124 local terms energy: -479.470019 where: bonds (distance) C4'-P energy: -90.070 bonds (distance) P-C4' energy: -89.680 flat angles C4'-P-C4' energy: -101.333 flat angles P-C4'-P energy: -60.037 tors. eta vs tors. theta energy: -138.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1218.470456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.470456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.470456 (E_RNA) where: Base-Base interactions energy: -800.561 where: short stacking energy: -316.754 Base-Backbone interact. energy: -1.668 local terms energy: -416.241384 where: bonds (distance) C4'-P energy: -100.724 bonds (distance) P-C4' energy: -85.293 flat angles C4'-P-C4' energy: -95.945 flat angles P-C4'-P energy: -64.444 tors. eta vs tors. theta energy: -69.834 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: 7, replica: 5 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1036.297427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.297427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.297427 (E_RNA) where: Base-Base interactions energy: -653.353 where: short stacking energy: -319.134 Base-Backbone interact. energy: -3.095 local terms energy: -379.849700 where: bonds (distance) C4'-P energy: -76.580 bonds (distance) P-C4' energy: -82.330 flat angles C4'-P-C4' energy: -103.292 flat angles P-C4'-P energy: -39.677 tors. eta vs tors. theta energy: -77.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -915.042279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.042279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.042279 (E_RNA) where: Base-Base interactions energy: -557.180 where: short stacking energy: -253.791 Base-Backbone interact. energy: -1.582 local terms energy: -356.279915 where: bonds (distance) C4'-P energy: -75.302 bonds (distance) P-C4' energy: -85.836 flat angles C4'-P-C4' energy: -89.870 flat angles P-C4'-P energy: -68.986 tors. eta vs tors. theta energy: -36.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -737.202513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.202513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.202513 (E_RNA) where: Base-Base interactions energy: -442.882 where: short stacking energy: -213.288 Base-Backbone interact. energy: 0.503 local terms energy: -294.823528 where: bonds (distance) C4'-P energy: -71.526 bonds (distance) P-C4' energy: -76.497 flat angles C4'-P-C4' energy: -79.061 flat angles P-C4'-P energy: -43.935 tors. eta vs tors. theta energy: -23.804 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: 3 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -588.123473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.123473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.123473 (E_RNA) where: Base-Base interactions energy: -328.574 where: short stacking energy: -161.594 Base-Backbone interact. energy: 1.855 local terms energy: -261.404390 where: bonds (distance) C4'-P energy: -63.513 bonds (distance) P-C4' energy: -87.126 flat angles C4'-P-C4' energy: -74.203 flat angles P-C4'-P energy: -43.056 tors. eta vs tors. theta energy: 6.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1755.135836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.135836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.135836 (E_RNA) where: Base-Base interactions energy: -1219.463 where: short stacking energy: -552.168 Base-Backbone interact. energy: -1.930 local terms energy: -533.743429 where: bonds (distance) C4'-P energy: -86.061 bonds (distance) P-C4' energy: -97.215 flat angles C4'-P-C4' energy: -110.544 flat angles P-C4'-P energy: -72.771 tors. eta vs tors. theta energy: -167.153 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: 8 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1623.375061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.375061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.375061 (E_RNA) where: Base-Base interactions energy: -1122.568 where: short stacking energy: -498.516 Base-Backbone interact. energy: -1.082 local terms energy: -499.724859 where: bonds (distance) C4'-P energy: -85.168 bonds (distance) P-C4' energy: -97.656 flat angles C4'-P-C4' energy: -102.800 flat angles P-C4'-P energy: -72.241 tors. eta vs tors. theta energy: -141.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1548.091439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.091439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.091439 (E_RNA) where: Base-Base interactions energy: -1090.367 where: short stacking energy: -452.171 Base-Backbone interact. energy: -0.978 local terms energy: -456.747070 where: bonds (distance) C4'-P energy: -100.452 bonds (distance) P-C4' energy: -87.130 flat angles C4'-P-C4' energy: -103.220 flat angles P-C4'-P energy: -47.768 tors. eta vs tors. theta energy: -118.177 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: 10 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1450.295464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.295464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.295464 (E_RNA) where: Base-Base interactions energy: -986.940 where: short stacking energy: -424.573 Base-Backbone interact. energy: -0.847 local terms energy: -462.508088 where: bonds (distance) C4'-P energy: -88.017 bonds (distance) P-C4' energy: -84.219 flat angles C4'-P-C4' energy: -99.506 flat angles P-C4'-P energy: -70.633 tors. eta vs tors. theta energy: -120.133 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: 2 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1465.306010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.306010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.306010 (E_RNA) where: Base-Base interactions energy: -1003.966 where: short stacking energy: -447.803 Base-Backbone interact. energy: 0.191 local terms energy: -461.530669 where: bonds (distance) C4'-P energy: -88.544 bonds (distance) P-C4' energy: -90.473 flat angles C4'-P-C4' energy: -95.583 flat angles P-C4'-P energy: -52.681 tors. eta vs tors. theta energy: -134.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -1175.212721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.212721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.212721 (E_RNA) where: Base-Base interactions energy: -788.518 where: short stacking energy: -316.955 Base-Backbone interact. energy: -1.532 local terms energy: -385.161825 where: bonds (distance) C4'-P energy: -83.994 bonds (distance) P-C4' energy: -83.362 flat angles C4'-P-C4' energy: -84.203 flat angles P-C4'-P energy: -53.232 tors. eta vs tors. theta energy: -80.371 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: 5 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1047.324695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.324695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.324695 (E_RNA) where: Base-Base interactions energy: -697.422 where: short stacking energy: -312.860 Base-Backbone interact. energy: -0.526 local terms energy: -349.377306 where: bonds (distance) C4'-P energy: -71.957 bonds (distance) P-C4' energy: -83.209 flat angles C4'-P-C4' energy: -89.570 flat angles P-C4'-P energy: -37.908 tors. eta vs tors. theta energy: -66.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -909.995083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.995083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.995083 (E_RNA) where: Base-Base interactions energy: -608.113 where: short stacking energy: -253.500 Base-Backbone interact. energy: 2.799 local terms energy: -304.681298 where: bonds (distance) C4'-P energy: -90.065 bonds (distance) P-C4' energy: -70.059 flat angles C4'-P-C4' energy: -87.639 flat angles P-C4'-P energy: -36.154 tors. eta vs tors. theta energy: -20.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -759.224265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.224265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.224265 (E_RNA) where: Base-Base interactions energy: -421.293 where: short stacking energy: -214.836 Base-Backbone interact. energy: 1.619 local terms energy: -339.550445 where: bonds (distance) C4'-P energy: -72.619 bonds (distance) P-C4' energy: -103.116 flat angles C4'-P-C4' energy: -88.514 flat angles P-C4'-P energy: -52.427 tors. eta vs tors. theta energy: -22.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -550.769745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.769745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.769745 (E_RNA) where: Base-Base interactions energy: -257.528 where: short stacking energy: -147.054 Base-Backbone interact. energy: -0.524 local terms energy: -292.717666 where: bonds (distance) C4'-P energy: -85.041 bonds (distance) P-C4' energy: -91.217 flat angles C4'-P-C4' energy: -70.356 flat angles P-C4'-P energy: -45.536 tors. eta vs tors. theta energy: -0.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1754.407072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.407072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.407072 (E_RNA) where: Base-Base interactions energy: -1201.992 where: short stacking energy: -550.157 Base-Backbone interact. energy: 1.560 local terms energy: -553.975309 where: bonds (distance) C4'-P energy: -98.664 bonds (distance) P-C4' energy: -102.803 flat angles C4'-P-C4' energy: -113.585 flat angles P-C4'-P energy: -71.523 tors. eta vs tors. theta energy: -167.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1623.829818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.829818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.829818 (E_RNA) where: Base-Base interactions energy: -1105.043 where: short stacking energy: -500.616 Base-Backbone interact. energy: -0.535 local terms energy: -518.251764 where: bonds (distance) C4'-P energy: -96.878 bonds (distance) P-C4' energy: -102.257 flat angles C4'-P-C4' energy: -108.169 flat angles P-C4'-P energy: -76.611 tors. eta vs tors. theta energy: -134.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1534.157314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.157314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.157314 (E_RNA) where: Base-Base interactions energy: -1069.773 where: short stacking energy: -452.127 Base-Backbone interact. energy: -0.345 local terms energy: -464.039113 where: bonds (distance) C4'-P energy: -79.612 bonds (distance) P-C4' energy: -78.972 flat angles C4'-P-C4' energy: -111.519 flat angles P-C4'-P energy: -67.216 tors. eta vs tors. theta energy: -126.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1466.740800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.740800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.740800 (E_RNA) where: Base-Base interactions energy: -1004.473 where: short stacking energy: -410.948 Base-Backbone interact. energy: 1.243 local terms energy: -463.510250 where: bonds (distance) C4'-P energy: -85.138 bonds (distance) P-C4' energy: -102.287 flat angles C4'-P-C4' energy: -103.694 flat angles P-C4'-P energy: -65.761 tors. eta vs tors. theta energy: -106.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1452.840732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.840732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.840732 (E_RNA) where: Base-Base interactions energy: -981.928 where: short stacking energy: -430.163 Base-Backbone interact. energy: -2.310 local terms energy: -468.603343 where: bonds (distance) C4'-P energy: -84.780 bonds (distance) P-C4' energy: -85.960 flat angles C4'-P-C4' energy: -103.084 flat angles P-C4'-P energy: -69.188 tors. eta vs tors. theta energy: -125.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1199.568048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.568048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.568048 (E_RNA) where: Base-Base interactions energy: -778.378 where: short stacking energy: -316.183 Base-Backbone interact. energy: 0.806 local terms energy: -421.996556 where: bonds (distance) C4'-P energy: -85.820 bonds (distance) P-C4' energy: -97.775 flat angles C4'-P-C4' energy: -105.536 flat angles P-C4'-P energy: -60.572 tors. eta vs tors. theta energy: -72.293 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: 7, replica: 5 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1037.544801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.544801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.544801 (E_RNA) where: Base-Base interactions energy: -667.466 where: short stacking energy: -302.522 Base-Backbone interact. energy: -2.759 local terms energy: -367.320046 where: bonds (distance) C4'-P energy: -79.760 bonds (distance) P-C4' energy: -87.531 flat angles C4'-P-C4' energy: -92.555 flat angles P-C4'-P energy: -49.437 tors. eta vs tors. theta energy: -58.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -892.736168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.736168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.736168 (E_RNA) where: Base-Base interactions energy: -555.544 where: short stacking energy: -236.483 Base-Backbone interact. energy: -1.183 local terms energy: -336.009019 where: bonds (distance) C4'-P energy: -88.578 bonds (distance) P-C4' energy: -91.198 flat angles C4'-P-C4' energy: -80.168 flat angles P-C4'-P energy: -49.539 tors. eta vs tors. theta energy: -26.526 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: 1 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -765.688893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.688893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.688893 (E_RNA) where: Base-Base interactions energy: -444.475 where: short stacking energy: -207.342 Base-Backbone interact. energy: 1.015 local terms energy: -322.228072 where: bonds (distance) C4'-P energy: -67.709 bonds (distance) P-C4' energy: -77.844 flat angles C4'-P-C4' energy: -80.268 flat angles P-C4'-P energy: -54.223 tors. eta vs tors. theta energy: -42.184 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: 3 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -567.239430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.239430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.239430 (E_RNA) where: Base-Base interactions energy: -291.768 where: short stacking energy: -170.724 Base-Backbone interact. energy: 3.104 local terms energy: -278.575146 where: bonds (distance) C4'-P energy: -55.128 bonds (distance) P-C4' energy: -90.039 flat angles C4'-P-C4' energy: -64.346 flat angles P-C4'-P energy: -54.778 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: 1, replica: 6 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1735.941703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.941703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.941703 (E_RNA) where: Base-Base interactions energy: -1191.298 where: short stacking energy: -555.580 Base-Backbone interact. energy: -1.589 local terms energy: -543.054883 where: bonds (distance) C4'-P energy: -89.244 bonds (distance) P-C4' energy: -97.588 flat angles C4'-P-C4' energy: -114.580 flat angles P-C4'-P energy: -80.289 tors. eta vs tors. theta energy: -161.355 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: 2, replica: 8 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1622.873526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.873526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.873526 (E_RNA) where: Base-Base interactions energy: -1116.115 where: short stacking energy: -477.776 Base-Backbone interact. energy: -0.905 local terms energy: -505.853268 where: bonds (distance) C4'-P energy: -102.633 bonds (distance) P-C4' energy: -93.885 flat angles C4'-P-C4' energy: -112.222 flat angles P-C4'-P energy: -65.968 tors. eta vs tors. theta energy: -131.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1541.686272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.686272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.686272 (E_RNA) where: Base-Base interactions energy: -1074.828 where: short stacking energy: -449.695 Base-Backbone interact. energy: -2.940 local terms energy: -463.918293 where: bonds (distance) C4'-P energy: -94.149 bonds (distance) P-C4' energy: -89.347 flat angles C4'-P-C4' energy: -94.872 flat angles P-C4'-P energy: -62.668 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: 4, replica: 10 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1448.168408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.168408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.168408 (E_RNA) where: Base-Base interactions energy: -1003.488 where: short stacking energy: -419.415 Base-Backbone interact. energy: -1.660 local terms energy: -443.021193 where: bonds (distance) C4'-P energy: -88.532 bonds (distance) P-C4' energy: -91.124 flat angles C4'-P-C4' energy: -95.473 flat angles P-C4'-P energy: -55.340 tors. eta vs tors. theta energy: -112.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1444.397967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.397967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.397967 (E_RNA) where: Base-Base interactions energy: -965.620 where: short stacking energy: -409.605 Base-Backbone interact. energy: -0.673 local terms energy: -478.104279 where: bonds (distance) C4'-P energy: -89.942 bonds (distance) P-C4' energy: -99.069 flat angles C4'-P-C4' energy: -101.336 flat angles P-C4'-P energy: -68.438 tors. eta vs tors. theta energy: -119.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1187.519808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.519808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.519808 (E_RNA) where: Base-Base interactions energy: -798.573 where: short stacking energy: -338.256 Base-Backbone interact. energy: -2.551 local terms energy: -386.395999 where: bonds (distance) C4'-P energy: -94.875 bonds (distance) P-C4' energy: -85.372 flat angles C4'-P-C4' energy: -79.293 flat angles P-C4'-P energy: -48.139 tors. eta vs tors. theta energy: -78.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1046.347076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.347076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.347076 (E_RNA) where: Base-Base interactions energy: -668.451 where: short stacking energy: -291.121 Base-Backbone interact. energy: -0.197 local terms energy: -377.699460 where: bonds (distance) C4'-P energy: -71.828 bonds (distance) P-C4' energy: -92.949 flat angles C4'-P-C4' energy: -88.200 flat angles P-C4'-P energy: -50.798 tors. eta vs tors. theta energy: -73.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -965.829216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.829216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.829216 (E_RNA) where: Base-Base interactions energy: -633.430 where: short stacking energy: -286.889 Base-Backbone interact. energy: 0.415 local terms energy: -332.813660 where: bonds (distance) C4'-P energy: -74.179 bonds (distance) P-C4' energy: -73.692 flat angles C4'-P-C4' energy: -93.751 flat angles P-C4'-P energy: -45.600 tors. eta vs tors. theta energy: -45.592 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: 1 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -721.582857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.582857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.582857 (E_RNA) where: Base-Base interactions energy: -405.072 where: short stacking energy: -200.050 Base-Backbone interact. energy: -0.728 local terms energy: -315.783171 where: bonds (distance) C4'-P energy: -77.234 bonds (distance) P-C4' energy: -86.412 flat angles C4'-P-C4' energy: -75.888 flat angles P-C4'-P energy: -53.064 tors. eta vs tors. theta energy: -23.186 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: 3 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -535.780170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.780170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.780170 (E_RNA) where: Base-Base interactions energy: -261.604 where: short stacking energy: -160.091 Base-Backbone interact. energy: -1.724 local terms energy: -272.451498 where: bonds (distance) C4'-P energy: -83.322 bonds (distance) P-C4' energy: -81.442 flat angles C4'-P-C4' energy: -67.149 flat angles P-C4'-P energy: -40.578 tors. eta vs tors. theta energy: 0.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1740.197474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.197474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.197474 (E_RNA) where: Base-Base interactions energy: -1206.700 where: short stacking energy: -543.649 Base-Backbone interact. energy: 0.666 local terms energy: -534.163643 where: bonds (distance) C4'-P energy: -89.825 bonds (distance) P-C4' energy: -89.722 flat angles C4'-P-C4' energy: -111.537 flat angles P-C4'-P energy: -79.512 tors. eta vs tors. theta energy: -163.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1635.616419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.616419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.616419 (E_RNA) where: Base-Base interactions energy: -1128.288 where: short stacking energy: -475.901 Base-Backbone interact. energy: -3.440 local terms energy: -503.888554 where: bonds (distance) C4'-P energy: -89.530 bonds (distance) P-C4' energy: -105.666 flat angles C4'-P-C4' energy: -109.626 flat angles P-C4'-P energy: -67.385 tors. eta vs tors. theta energy: -131.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1546.428633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.428633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.428633 (E_RNA) where: Base-Base interactions energy: -1072.975 where: short stacking energy: -450.659 Base-Backbone interact. energy: 1.021 local terms energy: -474.474150 where: bonds (distance) C4'-P energy: -86.326 bonds (distance) P-C4' energy: -91.388 flat angles C4'-P-C4' energy: -101.423 flat angles P-C4'-P energy: -63.002 tors. eta vs tors. theta energy: -132.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1515.268770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.268770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.268770 (E_RNA) where: Base-Base interactions energy: -1033.370 where: short stacking energy: -457.785 Base-Backbone interact. energy: 0.557 local terms energy: -482.456057 where: bonds (distance) C4'-P energy: -90.434 bonds (distance) P-C4' energy: -87.967 flat angles C4'-P-C4' energy: -100.691 flat angles P-C4'-P energy: -68.138 tors. eta vs tors. theta energy: -135.227 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: 5, replica: 10 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1390.420059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.420059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.420059 (E_RNA) where: Base-Base interactions energy: -972.021 where: short stacking energy: -392.550 Base-Backbone interact. energy: 2.488 local terms energy: -420.886433 where: bonds (distance) C4'-P energy: -83.573 bonds (distance) P-C4' energy: -87.008 flat angles C4'-P-C4' energy: -90.015 flat angles P-C4'-P energy: -58.933 tors. eta vs tors. theta energy: -101.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1206.476173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.476173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.476173 (E_RNA) where: Base-Base interactions energy: -802.309 where: short stacking energy: -312.514 Base-Backbone interact. energy: -5.677 local terms energy: -398.490529 where: bonds (distance) C4'-P energy: -87.487 bonds (distance) P-C4' energy: -85.538 flat angles C4'-P-C4' energy: -96.105 flat angles P-C4'-P energy: -55.245 tors. eta vs tors. theta energy: -74.115 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: 5 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1058.827813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.827813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.827813 (E_RNA) where: Base-Base interactions energy: -663.999 where: short stacking energy: -300.988 Base-Backbone interact. energy: -0.141 local terms energy: -394.687627 where: bonds (distance) C4'-P energy: -81.408 bonds (distance) P-C4' energy: -87.398 flat angles C4'-P-C4' energy: -89.813 flat angles P-C4'-P energy: -66.354 tors. eta vs tors. theta energy: -69.716 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: 9 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -967.437345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.437345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.437345 (E_RNA) where: Base-Base interactions energy: -613.051 where: short stacking energy: -292.012 Base-Backbone interact. energy: 1.909 local terms energy: -356.295167 where: bonds (distance) C4'-P energy: -74.243 bonds (distance) P-C4' energy: -72.941 flat angles C4'-P-C4' energy: -98.258 flat angles P-C4'-P energy: -58.231 tors. eta vs tors. theta energy: -52.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -723.597778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.597778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.597778 (E_RNA) where: Base-Base interactions energy: -414.285 where: short stacking energy: -218.460 Base-Backbone interact. energy: -2.326 local terms energy: -306.986802 where: bonds (distance) C4'-P energy: -73.535 bonds (distance) P-C4' energy: -80.355 flat angles C4'-P-C4' energy: -76.962 flat angles P-C4'-P energy: -46.640 tors. eta vs tors. theta energy: -29.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -547.357194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.357194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.357194 (E_RNA) where: Base-Base interactions energy: -267.118 where: short stacking energy: -147.610 Base-Backbone interact. energy: 0.772 local terms energy: -281.011465 where: bonds (distance) C4'-P energy: -85.951 bonds (distance) P-C4' energy: -78.519 flat angles C4'-P-C4' energy: -67.285 flat angles P-C4'-P energy: -41.263 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: 1, replica: 6 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1726.738070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.738070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.738070 (E_RNA) where: Base-Base interactions energy: -1157.761 where: short stacking energy: -515.929 Base-Backbone interact. energy: -1.708 local terms energy: -567.269155 where: bonds (distance) C4'-P energy: -106.687 bonds (distance) P-C4' energy: -100.297 flat angles C4'-P-C4' energy: -123.562 flat angles P-C4'-P energy: -75.414 tors. eta vs tors. theta energy: -161.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1665.795573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.795573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.795573 (E_RNA) where: Base-Base interactions energy: -1138.080 where: short stacking energy: -518.483 Base-Backbone interact. energy: 0.006 local terms energy: -527.722136 where: bonds (distance) C4'-P energy: -99.458 bonds (distance) P-C4' energy: -100.357 flat angles C4'-P-C4' energy: -107.249 flat angles P-C4'-P energy: -69.930 tors. eta vs tors. theta energy: -150.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1571.712926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.712926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.712926 (E_RNA) where: Base-Base interactions energy: -1070.394 where: short stacking energy: -489.291 Base-Backbone interact. energy: -0.058 local terms energy: -501.260985 where: bonds (distance) C4'-P energy: -79.221 bonds (distance) P-C4' energy: -89.723 flat angles C4'-P-C4' energy: -114.354 flat angles P-C4'-P energy: -78.824 tors. eta vs tors. theta energy: -139.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1509.887910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.887910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.887910 (E_RNA) where: Base-Base interactions energy: -1029.416 where: short stacking energy: -452.021 Base-Backbone interact. energy: -0.805 local terms energy: -479.666594 where: bonds (distance) C4'-P energy: -91.513 bonds (distance) P-C4' energy: -85.468 flat angles C4'-P-C4' energy: -102.011 flat angles P-C4'-P energy: -65.957 tors. eta vs tors. theta energy: -134.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -1408.478311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.478311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.478311 (E_RNA) where: Base-Base interactions energy: -1005.135 where: short stacking energy: -394.993 Base-Backbone interact. energy: -1.306 local terms energy: -402.037206 where: bonds (distance) C4'-P energy: -69.398 bonds (distance) P-C4' energy: -72.366 flat angles C4'-P-C4' energy: -92.693 flat angles P-C4'-P energy: -66.641 tors. eta vs tors. theta energy: -100.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1177.733527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.733527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.733527 (E_RNA) where: Base-Base interactions energy: -811.580 where: short stacking energy: -314.209 Base-Backbone interact. energy: -2.552 local terms energy: -363.601369 where: bonds (distance) C4'-P energy: -92.153 bonds (distance) P-C4' energy: -81.572 flat angles C4'-P-C4' energy: -82.250 flat angles P-C4'-P energy: -47.344 tors. eta vs tors. theta energy: -60.282 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: 5 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1057.481344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.481344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.481344 (E_RNA) where: Base-Base interactions energy: -674.711 where: short stacking energy: -301.652 Base-Backbone interact. energy: 0.366 local terms energy: -383.136610 where: bonds (distance) C4'-P energy: -82.928 bonds (distance) P-C4' energy: -88.740 flat angles C4'-P-C4' energy: -84.850 flat angles P-C4'-P energy: -56.093 tors. eta vs tors. theta energy: -70.527 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: 8, replica: 9 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -969.442777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.442777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.442777 (E_RNA) where: Base-Base interactions energy: -622.613 where: short stacking energy: -274.543 Base-Backbone interact. energy: -2.268 local terms energy: -344.561523 where: bonds (distance) C4'-P energy: -79.134 bonds (distance) P-C4' energy: -82.485 flat angles C4'-P-C4' energy: -77.717 flat angles P-C4'-P energy: -53.534 tors. eta vs tors. theta energy: -51.692 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: 9, replica: 1 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -693.173929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.173929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.173929 (E_RNA) where: Base-Base interactions energy: -395.049 where: short stacking energy: -213.741 Base-Backbone interact. energy: 5.908 local terms energy: -304.032804 where: bonds (distance) C4'-P energy: -74.496 bonds (distance) P-C4' energy: -76.714 flat angles C4'-P-C4' energy: -78.178 flat angles P-C4'-P energy: -48.692 tors. eta vs tors. theta energy: -25.952 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: 3 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -585.361959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.361959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.361959 (E_RNA) where: Base-Base interactions energy: -304.793 where: short stacking energy: -154.953 Base-Backbone interact. energy: -2.387 local terms energy: -278.181878 where: bonds (distance) C4'-P energy: -72.929 bonds (distance) P-C4' energy: -82.918 flat angles C4'-P-C4' energy: -62.816 flat angles P-C4'-P energy: -46.652 tors. eta vs tors. theta energy: -12.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1735.737894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.737894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.737894 (E_RNA) where: Base-Base interactions energy: -1182.458 where: short stacking energy: -529.656 Base-Backbone interact. energy: -1.074 local terms energy: -552.205518 where: bonds (distance) C4'-P energy: -99.408 bonds (distance) P-C4' energy: -96.515 flat angles C4'-P-C4' energy: -109.348 flat angles P-C4'-P energy: -82.619 tors. eta vs tors. theta energy: -164.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1646.883527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.883527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.883527 (E_RNA) where: Base-Base interactions energy: -1122.306 where: short stacking energy: -475.015 Base-Backbone interact. energy: -2.063 local terms energy: -522.514936 where: bonds (distance) C4'-P energy: -99.067 bonds (distance) P-C4' energy: -94.524 flat angles C4'-P-C4' energy: -101.383 flat angles P-C4'-P energy: -83.634 tors. eta vs tors. theta energy: -143.907 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: 7 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1552.768536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.768536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.768536 (E_RNA) where: Base-Base interactions energy: -1058.561 where: short stacking energy: -471.798 Base-Backbone interact. energy: 0.929 local terms energy: -495.136986 where: bonds (distance) C4'-P energy: -84.479 bonds (distance) P-C4' energy: -107.582 flat angles C4'-P-C4' energy: -100.929 flat angles P-C4'-P energy: -74.700 tors. eta vs tors. theta energy: -127.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1485.310996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.310996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.310996 (E_RNA) where: Base-Base interactions energy: -1015.103 where: short stacking energy: -418.989 Base-Backbone interact. energy: -2.699 local terms energy: -467.509375 where: bonds (distance) C4'-P energy: -86.468 bonds (distance) P-C4' energy: -95.849 flat angles C4'-P-C4' energy: -103.500 flat angles P-C4'-P energy: -61.370 tors. eta vs tors. theta energy: -120.323 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: 2 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1430.605115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.605115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.605115 (E_RNA) where: Base-Base interactions energy: -961.679 where: short stacking energy: -394.866 Base-Backbone interact. energy: -0.593 local terms energy: -468.333216 where: bonds (distance) C4'-P energy: -87.051 bonds (distance) P-C4' energy: -98.482 flat angles C4'-P-C4' energy: -104.548 flat angles P-C4'-P energy: -62.959 tors. eta vs tors. theta energy: -115.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1181.640970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.640970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.640970 (E_RNA) where: Base-Base interactions energy: -794.983 where: short stacking energy: -338.864 Base-Backbone interact. energy: 3.858 local terms energy: -390.516678 where: bonds (distance) C4'-P energy: -90.585 bonds (distance) P-C4' energy: -79.198 flat angles C4'-P-C4' energy: -83.566 flat angles P-C4'-P energy: -58.749 tors. eta vs tors. theta energy: -78.419 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: 5 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1053.554806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.554806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.554806 (E_RNA) where: Base-Base interactions energy: -696.330 where: short stacking energy: -295.956 Base-Backbone interact. energy: 4.449 local terms energy: -361.673131 where: bonds (distance) C4'-P energy: -61.413 bonds (distance) P-C4' energy: -82.672 flat angles C4'-P-C4' energy: -98.471 flat angles P-C4'-P energy: -55.112 tors. eta vs tors. theta energy: -64.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -930.468473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.468473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.468473 (E_RNA) where: Base-Base interactions energy: -593.113 where: short stacking energy: -276.443 Base-Backbone interact. energy: -0.704 local terms energy: -336.651359 where: bonds (distance) C4'-P energy: -72.393 bonds (distance) P-C4' energy: -85.210 flat angles C4'-P-C4' energy: -75.026 flat angles P-C4'-P energy: -55.274 tors. eta vs tors. theta energy: -48.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -700.520099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.520099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.520099 (E_RNA) where: Base-Base interactions energy: -394.321 where: short stacking energy: -221.016 Base-Backbone interact. energy: -1.474 local terms energy: -304.724740 where: bonds (distance) C4'-P energy: -79.480 bonds (distance) P-C4' energy: -76.196 flat angles C4'-P-C4' energy: -60.808 flat angles P-C4'-P energy: -46.411 tors. eta vs tors. theta energy: -41.831 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: 10, replica: 3 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -616.090108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.090108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.090108 (E_RNA) where: Base-Base interactions energy: -325.797 where: short stacking energy: -182.627 Base-Backbone interact. energy: -0.313 local terms energy: -289.980395 where: bonds (distance) C4'-P energy: -83.150 bonds (distance) P-C4' energy: -81.978 flat angles C4'-P-C4' energy: -56.793 flat angles P-C4'-P energy: -55.852 tors. eta vs tors. theta energy: -12.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1763.244354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.244354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.244354 (E_RNA) where: Base-Base interactions energy: -1208.148 where: short stacking energy: -544.104 Base-Backbone interact. energy: -1.954 local terms energy: -553.141577 where: bonds (distance) C4'-P energy: -108.147 bonds (distance) P-C4' energy: -102.318 flat angles C4'-P-C4' energy: -106.907 flat angles P-C4'-P energy: -75.128 tors. eta vs tors. theta energy: -160.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1658.577041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.577041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.577041 (E_RNA) where: Base-Base interactions energy: -1153.566 where: short stacking energy: -489.124 Base-Backbone interact. energy: -1.555 local terms energy: -503.455926 where: bonds (distance) C4'-P energy: -86.552 bonds (distance) P-C4' energy: -96.885 flat angles C4'-P-C4' energy: -113.856 flat angles P-C4'-P energy: -66.096 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: 3, replica: 7 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1526.035298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.035298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.035298 (E_RNA) where: Base-Base interactions energy: -1038.019 where: short stacking energy: -454.848 Base-Backbone interact. energy: -1.543 local terms energy: -486.472985 where: bonds (distance) C4'-P energy: -92.229 bonds (distance) P-C4' energy: -97.954 flat angles C4'-P-C4' energy: -101.548 flat angles P-C4'-P energy: -68.978 tors. eta vs tors. theta energy: -125.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1480.981049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.981049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.981049 (E_RNA) where: Base-Base interactions energy: -1010.772 where: short stacking energy: -428.351 Base-Backbone interact. energy: 2.166 local terms energy: -472.375300 where: bonds (distance) C4'-P energy: -83.429 bonds (distance) P-C4' energy: -98.891 flat angles C4'-P-C4' energy: -106.117 flat angles P-C4'-P energy: -68.263 tors. eta vs tors. theta energy: -115.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1465.584394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.584394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.584394 (E_RNA) where: Base-Base interactions energy: -989.557 where: short stacking energy: -432.331 Base-Backbone interact. energy: -1.423 local terms energy: -474.605065 where: bonds (distance) C4'-P energy: -75.780 bonds (distance) P-C4' energy: -93.404 flat angles C4'-P-C4' energy: -109.564 flat angles P-C4'-P energy: -72.031 tors. eta vs tors. theta energy: -123.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1200.231244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.231244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.231244 (E_RNA) where: Base-Base interactions energy: -810.428 where: short stacking energy: -341.056 Base-Backbone interact. energy: 2.162 local terms energy: -391.965073 where: bonds (distance) C4'-P energy: -85.462 bonds (distance) P-C4' energy: -81.814 flat angles C4'-P-C4' energy: -90.167 flat angles P-C4'-P energy: -60.202 tors. eta vs tors. theta energy: -74.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1023.617662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.617662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.617662 (E_RNA) where: Base-Base interactions energy: -660.331 where: short stacking energy: -294.981 Base-Backbone interact. energy: 0.495 local terms energy: -363.781382 where: bonds (distance) C4'-P energy: -82.434 bonds (distance) P-C4' energy: -70.433 flat angles C4'-P-C4' energy: -94.614 flat angles P-C4'-P energy: -56.099 tors. eta vs tors. theta energy: -60.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -827.404863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.404863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.404863 (E_RNA) where: Base-Base interactions energy: -512.047 where: short stacking energy: -251.781 Base-Backbone interact. energy: 1.130 local terms energy: -316.487449 where: bonds (distance) C4'-P energy: -73.955 bonds (distance) P-C4' energy: -81.386 flat angles C4'-P-C4' energy: -82.528 flat angles P-C4'-P energy: -39.619 tors. eta vs tors. theta energy: -39.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -710.581309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.581309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.581309 (E_RNA) where: Base-Base interactions energy: -415.875 where: short stacking energy: -209.171 Base-Backbone interact. energy: 1.507 local terms energy: -296.213065 where: bonds (distance) C4'-P energy: -83.005 bonds (distance) P-C4' energy: -81.853 flat angles C4'-P-C4' energy: -74.724 flat angles P-C4'-P energy: -43.788 tors. eta vs tors. theta energy: -12.843 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: 3 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -566.642253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.642253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.642253 (E_RNA) where: Base-Base interactions energy: -325.827 where: short stacking energy: -170.400 Base-Backbone interact. energy: -1.372 local terms energy: -239.442797 where: bonds (distance) C4'-P energy: -49.424 bonds (distance) P-C4' energy: -75.676 flat angles C4'-P-C4' energy: -69.395 flat angles P-C4'-P energy: -49.472 tors. eta vs tors. theta energy: 4.523 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: 6 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1751.053019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.053019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.053019 (E_RNA) where: Base-Base interactions energy: -1214.323 where: short stacking energy: -550.808 Base-Backbone interact. energy: -1.970 local terms energy: -534.759609 where: bonds (distance) C4'-P energy: -94.869 bonds (distance) P-C4' energy: -90.223 flat angles C4'-P-C4' energy: -114.028 flat angles P-C4'-P energy: -73.617 tors. eta vs tors. theta energy: -162.022 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: 8 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1652.205391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.205391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.205391 (E_RNA) where: Base-Base interactions energy: -1126.780 where: short stacking energy: -490.566 Base-Backbone interact. energy: -1.513 local terms energy: -523.913074 where: bonds (distance) C4'-P energy: -93.316 bonds (distance) P-C4' energy: -104.023 flat angles C4'-P-C4' energy: -110.604 flat angles P-C4'-P energy: -80.015 tors. eta vs tors. theta energy: -135.956 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: 7 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1566.048702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.048702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.048702 (E_RNA) where: Base-Base interactions energy: -1063.926 where: short stacking energy: -467.793 Base-Backbone interact. energy: -3.117 local terms energy: -499.005149 where: bonds (distance) C4'-P energy: -92.698 bonds (distance) P-C4' energy: -94.288 flat angles C4'-P-C4' energy: -104.921 flat angles P-C4'-P energy: -74.250 tors. eta vs tors. theta energy: -132.848 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: 4, replica: 10 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1499.092237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.092237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.092237 (E_RNA) where: Base-Base interactions energy: -1038.851 where: short stacking energy: -445.475 Base-Backbone interact. energy: -0.837 local terms energy: -459.404679 where: bonds (distance) C4'-P energy: -69.650 bonds (distance) P-C4' energy: -89.047 flat angles C4'-P-C4' energy: -102.492 flat angles P-C4'-P energy: -69.141 tors. eta vs tors. theta energy: -129.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1451.369770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.369770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.369770 (E_RNA) where: Base-Base interactions energy: -980.895 where: short stacking energy: -442.673 Base-Backbone interact. energy: -0.790 local terms energy: -469.685610 where: bonds (distance) C4'-P energy: -74.037 bonds (distance) P-C4' energy: -97.306 flat angles C4'-P-C4' energy: -89.321 flat angles P-C4'-P energy: -78.955 tors. eta vs tors. theta energy: -130.066 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: 4 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1218.997503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.997503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.997503 (E_RNA) where: Base-Base interactions energy: -828.440 where: short stacking energy: -357.883 Base-Backbone interact. energy: 0.774 local terms energy: -391.331194 where: bonds (distance) C4'-P energy: -72.901 bonds (distance) P-C4' energy: -81.874 flat angles C4'-P-C4' energy: -99.061 flat angles P-C4'-P energy: -52.490 tors. eta vs tors. theta energy: -85.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1051.103052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.103052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.103052 (E_RNA) where: Base-Base interactions energy: -672.194 where: short stacking energy: -319.289 Base-Backbone interact. energy: -0.895 local terms energy: -378.014747 where: bonds (distance) C4'-P energy: -79.399 bonds (distance) P-C4' energy: -94.469 flat angles C4'-P-C4' energy: -92.082 flat angles P-C4'-P energy: -57.350 tors. eta vs tors. theta energy: -54.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -835.112132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.112132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.112132 (E_RNA) where: Base-Base interactions energy: -523.747 where: short stacking energy: -245.689 Base-Backbone interact. energy: -3.198 local terms energy: -308.166719 where: bonds (distance) C4'-P energy: -78.630 bonds (distance) P-C4' energy: -90.081 flat angles C4'-P-C4' energy: -74.417 flat angles P-C4'-P energy: -39.474 tors. eta vs tors. theta energy: -25.566 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: 1 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -675.395834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.395834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.395834 (E_RNA) where: Base-Base interactions energy: -390.355 where: short stacking energy: -200.889 Base-Backbone interact. energy: -1.544 local terms energy: -283.497730 where: bonds (distance) C4'-P energy: -94.041 bonds (distance) P-C4' energy: -85.849 flat angles C4'-P-C4' energy: -56.924 flat angles P-C4'-P energy: -33.295 tors. eta vs tors. theta energy: -13.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -560.242880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.242880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.242880 (E_RNA) where: Base-Base interactions energy: -296.165 where: short stacking energy: -161.726 Base-Backbone interact. energy: 1.309 local terms energy: -265.387200 where: bonds (distance) C4'-P energy: -64.827 bonds (distance) P-C4' energy: -83.781 flat angles C4'-P-C4' energy: -74.302 flat angles P-C4'-P energy: -48.173 tors. eta vs tors. theta energy: 5.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1766.118792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.118792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.118792 (E_RNA) where: Base-Base interactions energy: -1210.309 where: short stacking energy: -557.615 Base-Backbone interact. energy: -1.141 local terms energy: -554.667978 where: bonds (distance) C4'-P energy: -86.567 bonds (distance) P-C4' energy: -100.508 flat angles C4'-P-C4' energy: -115.634 flat angles P-C4'-P energy: -81.491 tors. eta vs tors. theta energy: -170.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1640.715275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.715275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.715275 (E_RNA) where: Base-Base interactions energy: -1137.278 where: short stacking energy: -490.875 Base-Backbone interact. energy: -1.679 local terms energy: -501.758169 where: bonds (distance) C4'-P energy: -91.674 bonds (distance) P-C4' energy: -91.063 flat angles C4'-P-C4' energy: -110.503 flat angles P-C4'-P energy: -71.393 tors. eta vs tors. theta energy: -137.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1599.611040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.611040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.611040 (E_RNA) where: Base-Base interactions energy: -1105.094 where: short stacking energy: -483.161 Base-Backbone interact. energy: -1.524 local terms energy: -492.992457 where: bonds (distance) C4'-P energy: -81.559 bonds (distance) P-C4' energy: -103.455 flat angles C4'-P-C4' energy: -110.344 flat angles P-C4'-P energy: -60.800 tors. eta vs tors. theta energy: -136.834 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: 4, replica: 10 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1509.651992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.651992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.651992 (E_RNA) where: Base-Base interactions energy: -1050.248 where: short stacking energy: -445.312 Base-Backbone interact. energy: -2.309 local terms energy: -457.094284 where: bonds (distance) C4'-P energy: -83.399 bonds (distance) P-C4' energy: -91.349 flat angles C4'-P-C4' energy: -85.958 flat angles P-C4'-P energy: -73.407 tors. eta vs tors. theta energy: -122.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1435.193658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.193658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.193658 (E_RNA) where: Base-Base interactions energy: -980.516 where: short stacking energy: -417.131 Base-Backbone interact. energy: -2.131 local terms energy: -452.546443 where: bonds (distance) C4'-P energy: -88.189 bonds (distance) P-C4' energy: -73.355 flat angles C4'-P-C4' energy: -96.251 flat angles P-C4'-P energy: -64.304 tors. eta vs tors. theta energy: -130.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1202.533319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.533319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.533319 (E_RNA) where: Base-Base interactions energy: -826.716 where: short stacking energy: -346.314 Base-Backbone interact. energy: -0.951 local terms energy: -374.866343 where: bonds (distance) C4'-P energy: -71.584 bonds (distance) P-C4' energy: -87.509 flat angles C4'-P-C4' energy: -77.293 flat angles P-C4'-P energy: -46.441 tors. eta vs tors. theta energy: -92.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1053.826470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.826470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.826470 (E_RNA) where: Base-Base interactions energy: -685.132 where: short stacking energy: -303.140 Base-Backbone interact. energy: -0.387 local terms energy: -368.307071 where: bonds (distance) C4'-P energy: -74.262 bonds (distance) P-C4' energy: -67.236 flat angles C4'-P-C4' energy: -94.268 flat angles P-C4'-P energy: -64.758 tors. eta vs tors. theta energy: -67.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -905.632124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.632124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.632124 (E_RNA) where: Base-Base interactions energy: -585.525 where: short stacking energy: -283.433 Base-Backbone interact. energy: 0.344 local terms energy: -320.451697 where: bonds (distance) C4'-P energy: -74.375 bonds (distance) P-C4' energy: -62.466 flat angles C4'-P-C4' energy: -87.680 flat angles P-C4'-P energy: -46.828 tors. eta vs tors. theta energy: -49.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -590.944005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.944005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.944005 (E_RNA) where: Base-Base interactions energy: -305.745 where: short stacking energy: -173.733 Base-Backbone interact. energy: 3.344 local terms energy: -288.543672 where: bonds (distance) C4'-P energy: -75.420 bonds (distance) P-C4' energy: -101.167 flat angles C4'-P-C4' energy: -59.985 flat angles P-C4'-P energy: -40.769 tors. eta vs tors. theta energy: -11.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -733.085687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.085687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.085687 (E_RNA) where: Base-Base interactions energy: -454.234 where: short stacking energy: -211.571 Base-Backbone interact. energy: -2.454 local terms energy: -276.398094 where: bonds (distance) C4'-P energy: -75.128 bonds (distance) P-C4' energy: -53.857 flat angles C4'-P-C4' energy: -75.297 flat angles P-C4'-P energy: -44.917 tors. eta vs tors. theta energy: -27.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1739.481727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.481727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.481727 (E_RNA) where: Base-Base interactions energy: -1192.137 where: short stacking energy: -541.122 Base-Backbone interact. energy: -1.588 local terms energy: -545.756570 where: bonds (distance) C4'-P energy: -91.942 bonds (distance) P-C4' energy: -91.562 flat angles C4'-P-C4' energy: -114.105 flat angles P-C4'-P energy: -84.334 tors. eta vs tors. theta energy: -163.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1632.023756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.023756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.023756 (E_RNA) where: Base-Base interactions energy: -1109.638 where: short stacking energy: -474.313 Base-Backbone interact. energy: -2.246 local terms energy: -520.140019 where: bonds (distance) C4'-P energy: -99.548 bonds (distance) P-C4' energy: -105.160 flat angles C4'-P-C4' energy: -106.871 flat angles P-C4'-P energy: -76.137 tors. eta vs tors. theta energy: -132.424 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: 7 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1577.076563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.076563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.076563 (E_RNA) where: Base-Base interactions energy: -1085.789 where: short stacking energy: -456.367 Base-Backbone interact. energy: -2.722 local terms energy: -488.565715 where: bonds (distance) C4'-P energy: -91.995 bonds (distance) P-C4' energy: -107.700 flat angles C4'-P-C4' energy: -99.695 flat angles P-C4'-P energy: -59.579 tors. eta vs tors. theta energy: -129.598 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: 10 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1515.239304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.239304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.239304 (E_RNA) where: Base-Base interactions energy: -1025.692 where: short stacking energy: -424.206 Base-Backbone interact. energy: -1.778 local terms energy: -487.769328 where: bonds (distance) C4'-P energy: -87.314 bonds (distance) P-C4' energy: -96.268 flat angles C4'-P-C4' energy: -111.244 flat angles P-C4'-P energy: -73.623 tors. eta vs tors. theta energy: -119.321 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: 2 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1422.988951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.988951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.988951 (E_RNA) where: Base-Base interactions energy: -971.998 where: short stacking energy: -427.115 Base-Backbone interact. energy: 1.398 local terms energy: -452.388463 where: bonds (distance) C4'-P energy: -83.306 bonds (distance) P-C4' energy: -77.273 flat angles C4'-P-C4' energy: -103.236 flat angles P-C4'-P energy: -60.885 tors. eta vs tors. theta energy: -127.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1231.118427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.118427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.118427 (E_RNA) where: Base-Base interactions energy: -812.401 where: short stacking energy: -347.000 Base-Backbone interact. energy: -1.272 local terms energy: -417.445551 where: bonds (distance) C4'-P energy: -90.436 bonds (distance) P-C4' energy: -83.914 flat angles C4'-P-C4' energy: -100.581 flat angles P-C4'-P energy: -59.413 tors. eta vs tors. theta energy: -83.101 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: 5 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1052.119183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.119183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.119183 (E_RNA) where: Base-Base interactions energy: -689.050 where: short stacking energy: -312.652 Base-Backbone interact. energy: -0.719 local terms energy: -362.349817 where: bonds (distance) C4'-P energy: -75.272 bonds (distance) P-C4' energy: -98.801 flat angles C4'-P-C4' energy: -80.949 flat angles P-C4'-P energy: -47.038 tors. eta vs tors. theta energy: -60.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -839.901394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.901394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.901394 (E_RNA) where: Base-Base interactions energy: -519.600 where: short stacking energy: -236.525 Base-Backbone interact. energy: 0.548 local terms energy: -320.849476 where: bonds (distance) C4'-P energy: -80.320 bonds (distance) P-C4' energy: -91.297 flat angles C4'-P-C4' energy: -73.014 flat angles P-C4'-P energy: -45.407 tors. eta vs tors. theta energy: -30.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -693.108774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.108774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.108774 (E_RNA) where: Base-Base interactions energy: -393.960 where: short stacking energy: -215.557 Base-Backbone interact. energy: 1.414 local terms energy: -300.562243 where: bonds (distance) C4'-P energy: -69.807 bonds (distance) P-C4' energy: -92.040 flat angles C4'-P-C4' energy: -78.365 flat angles P-C4'-P energy: -30.577 tors. eta vs tors. theta energy: -29.773 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: 10, replica: 1 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -740.059793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.059793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.059793 (E_RNA) where: Base-Base interactions energy: -433.792 where: short stacking energy: -196.219 Base-Backbone interact. energy: -0.880 local terms energy: -305.388642 where: bonds (distance) C4'-P energy: -83.183 bonds (distance) P-C4' energy: -73.752 flat angles C4'-P-C4' energy: -74.166 flat angles P-C4'-P energy: -52.626 tors. eta vs tors. theta energy: -21.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1777.812817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.812817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.812817 (E_RNA) where: Base-Base interactions energy: -1219.699 where: short stacking energy: -552.751 Base-Backbone interact. energy: -0.814 local terms energy: -557.299594 where: bonds (distance) C4'-P energy: -99.630 bonds (distance) P-C4' energy: -89.000 flat angles C4'-P-C4' energy: -115.215 flat angles P-C4'-P energy: -87.072 tors. eta vs tors. theta energy: -166.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1648.949047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.949047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.949047 (E_RNA) where: Base-Base interactions energy: -1152.240 where: short stacking energy: -506.073 Base-Backbone interact. energy: -3.882 local terms energy: -492.826909 where: bonds (distance) C4'-P energy: -94.131 bonds (distance) P-C4' energy: -92.423 flat angles C4'-P-C4' energy: -99.678 flat angles P-C4'-P energy: -74.036 tors. eta vs tors. theta energy: -132.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1565.300611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.300611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.300611 (E_RNA) where: Base-Base interactions energy: -1065.432 where: short stacking energy: -454.825 Base-Backbone interact. energy: -1.498 local terms energy: -498.371239 where: bonds (distance) C4'-P energy: -94.184 bonds (distance) P-C4' energy: -90.904 flat angles C4'-P-C4' energy: -107.817 flat angles P-C4'-P energy: -65.143 tors. eta vs tors. theta energy: -140.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1529.166494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.166494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.166494 (E_RNA) where: Base-Base interactions energy: -1042.336 where: short stacking energy: -461.738 Base-Backbone interact. energy: -0.903 local terms energy: -485.927893 where: bonds (distance) C4'-P energy: -96.800 bonds (distance) P-C4' energy: -96.102 flat angles C4'-P-C4' energy: -102.022 flat angles P-C4'-P energy: -56.357 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: 5, replica: 2 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1438.362487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.362487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.362487 (E_RNA) where: Base-Base interactions energy: -987.411 where: short stacking energy: -417.474 Base-Backbone interact. energy: -0.310 local terms energy: -450.641927 where: bonds (distance) C4'-P energy: -84.073 bonds (distance) P-C4' energy: -82.936 flat angles C4'-P-C4' energy: -100.590 flat angles P-C4'-P energy: -66.523 tors. eta vs tors. theta energy: -116.520 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: 4 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1206.557822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.557822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.557822 (E_RNA) where: Base-Base interactions energy: -781.224 where: short stacking energy: -346.880 Base-Backbone interact. energy: 0.500 local terms energy: -425.834111 where: bonds (distance) C4'-P energy: -82.082 bonds (distance) P-C4' energy: -95.964 flat angles C4'-P-C4' energy: -98.215 flat angles P-C4'-P energy: -62.600 tors. eta vs tors. theta energy: -86.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1032.562853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.562853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.562853 (E_RNA) where: Base-Base interactions energy: -666.613 where: short stacking energy: -297.957 Base-Backbone interact. energy: -2.913 local terms energy: -363.037468 where: bonds (distance) C4'-P energy: -83.427 bonds (distance) P-C4' energy: -77.403 flat angles C4'-P-C4' energy: -84.460 flat angles P-C4'-P energy: -60.652 tors. eta vs tors. theta energy: -57.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -850.328244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.328244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.328244 (E_RNA) where: Base-Base interactions energy: -516.501 where: short stacking energy: -266.051 Base-Backbone interact. energy: -0.512 local terms energy: -333.315026 where: bonds (distance) C4'-P energy: -78.007 bonds (distance) P-C4' energy: -82.712 flat angles C4'-P-C4' energy: -73.216 flat angles P-C4'-P energy: -61.409 tors. eta vs tors. theta energy: -37.971 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: 1 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -687.877684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.877684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.877684 (E_RNA) where: Base-Base interactions energy: -402.728 where: short stacking energy: -201.851 Base-Backbone interact. energy: -3.066 local terms energy: -282.082911 where: bonds (distance) C4'-P energy: -64.187 bonds (distance) P-C4' energy: -78.249 flat angles C4'-P-C4' energy: -75.721 flat angles P-C4'-P energy: -37.477 tors. eta vs tors. theta energy: -26.449 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: 3 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -605.469781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.469781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.469781 (E_RNA) where: Base-Base interactions energy: -331.832 where: short stacking energy: -176.960 Base-Backbone interact. energy: -2.182 local terms energy: -271.455935 where: bonds (distance) C4'-P energy: -77.762 bonds (distance) P-C4' energy: -86.440 flat angles C4'-P-C4' energy: -73.232 flat angles P-C4'-P energy: -19.269 tors. eta vs tors. theta energy: -14.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1751.417248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.417248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.417248 (E_RNA) where: Base-Base interactions energy: -1202.934 where: short stacking energy: -537.632 Base-Backbone interact. energy: -1.088 local terms energy: -547.394974 where: bonds (distance) C4'-P energy: -92.278 bonds (distance) P-C4' energy: -95.766 flat angles C4'-P-C4' energy: -117.525 flat angles P-C4'-P energy: -76.506 tors. eta vs tors. theta energy: -165.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1613.470310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.470310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.470310 (E_RNA) where: Base-Base interactions energy: -1117.714 where: short stacking energy: -492.308 Base-Backbone interact. energy: -0.024 local terms energy: -495.731779 where: bonds (distance) C4'-P energy: -85.181 bonds (distance) P-C4' energy: -96.586 flat angles C4'-P-C4' energy: -99.474 flat angles P-C4'-P energy: -74.484 tors. eta vs tors. theta energy: -140.007 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: 7 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1597.423958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.423958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.423958 (E_RNA) where: Base-Base interactions energy: -1104.048 where: short stacking energy: -457.289 Base-Backbone interact. energy: 0.082 local terms energy: -493.457590 where: bonds (distance) C4'-P energy: -95.994 bonds (distance) P-C4' energy: -95.148 flat angles C4'-P-C4' energy: -101.114 flat angles P-C4'-P energy: -68.812 tors. eta vs tors. theta energy: -132.391 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: 367 Temperature: 1.050000 Total energy: -1513.120312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.120312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.120312 (E_RNA) where: Base-Base interactions energy: -1030.228 where: short stacking energy: -436.857 Base-Backbone interact. energy: -3.199 local terms energy: -479.693364 where: bonds (distance) C4'-P energy: -85.481 bonds (distance) P-C4' energy: -91.171 flat angles C4'-P-C4' energy: -105.550 flat angles P-C4'-P energy: -66.997 tors. eta vs tors. theta energy: -130.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1417.612857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.612857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.612857 (E_RNA) where: Base-Base interactions energy: -989.509 where: short stacking energy: -400.237 Base-Backbone interact. energy: -2.157 local terms energy: -425.946732 where: bonds (distance) C4'-P energy: -87.289 bonds (distance) P-C4' energy: -85.508 flat angles C4'-P-C4' energy: -96.166 flat angles P-C4'-P energy: -61.379 tors. eta vs tors. theta energy: -95.605 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: 4 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1222.953089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.953089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.953089 (E_RNA) where: Base-Base interactions energy: -822.341 where: short stacking energy: -362.266 Base-Backbone interact. energy: 0.432 local terms energy: -401.044672 where: bonds (distance) C4'-P energy: -98.580 bonds (distance) P-C4' energy: -73.631 flat angles C4'-P-C4' energy: -83.875 flat angles P-C4'-P energy: -67.139 tors. eta vs tors. theta energy: -77.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1038.779548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.779548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.779548 (E_RNA) where: Base-Base interactions energy: -681.257 where: short stacking energy: -294.570 Base-Backbone interact. energy: -1.346 local terms energy: -356.176503 where: bonds (distance) C4'-P energy: -83.519 bonds (distance) P-C4' energy: -78.282 flat angles C4'-P-C4' energy: -80.707 flat angles P-C4'-P energy: -55.367 tors. eta vs tors. theta energy: -58.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -823.994603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.994603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.994603 (E_RNA) where: Base-Base interactions energy: -505.217 where: short stacking energy: -236.702 Base-Backbone interact. energy: -1.628 local terms energy: -317.149105 where: bonds (distance) C4'-P energy: -77.117 bonds (distance) P-C4' energy: -74.808 flat angles C4'-P-C4' energy: -84.499 flat angles P-C4'-P energy: -47.743 tors. eta vs tors. theta energy: -32.982 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: 1 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -675.667144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.667144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.667144 (E_RNA) where: Base-Base interactions energy: -393.751 where: short stacking energy: -183.379 Base-Backbone interact. energy: 3.170 local terms energy: -285.085979 where: bonds (distance) C4'-P energy: -78.092 bonds (distance) P-C4' energy: -84.811 flat angles C4'-P-C4' energy: -78.267 flat angles P-C4'-P energy: -44.611 tors. eta vs tors. theta energy: 0.694 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: 3 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -614.725678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.725678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.725678 (E_RNA) where: Base-Base interactions energy: -355.730 where: short stacking energy: -178.820 Base-Backbone interact. energy: 0.181 local terms energy: -259.176711 where: bonds (distance) C4'-P energy: -57.764 bonds (distance) P-C4' energy: -77.434 flat angles C4'-P-C4' energy: -65.019 flat angles P-C4'-P energy: -51.182 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: 1, replica: 6 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1749.033304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.033304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.033304 (E_RNA) where: Base-Base interactions energy: -1205.469 where: short stacking energy: -524.964 Base-Backbone interact. energy: -2.258 local terms energy: -541.306941 where: bonds (distance) C4'-P energy: -104.882 bonds (distance) P-C4' energy: -93.276 flat angles C4'-P-C4' energy: -104.653 flat angles P-C4'-P energy: -78.244 tors. eta vs tors. theta energy: -160.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1642.019242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.019242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.019242 (E_RNA) where: Base-Base interactions energy: -1139.104 where: short stacking energy: -500.419 Base-Backbone interact. energy: -1.446 local terms energy: -501.469068 where: bonds (distance) C4'-P energy: -85.734 bonds (distance) P-C4' energy: -105.982 flat angles C4'-P-C4' energy: -110.570 flat angles P-C4'-P energy: -71.893 tors. eta vs tors. theta energy: -127.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1563.839117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.839117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.839117 (E_RNA) where: Base-Base interactions energy: -1075.739 where: short stacking energy: -448.366 Base-Backbone interact. energy: 1.348 local terms energy: -489.447745 where: bonds (distance) C4'-P energy: -93.359 bonds (distance) P-C4' energy: -90.567 flat angles C4'-P-C4' energy: -102.433 flat angles P-C4'-P energy: -76.859 tors. eta vs tors. theta energy: -126.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1538.535956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.535956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.535956 (E_RNA) where: Base-Base interactions energy: -1059.277 where: short stacking energy: -464.234 Base-Backbone interact. energy: -1.402 local terms energy: -477.856657 where: bonds (distance) C4'-P energy: -76.156 bonds (distance) P-C4' energy: -90.929 flat angles C4'-P-C4' energy: -108.940 flat angles P-C4'-P energy: -68.298 tors. eta vs tors. theta energy: -133.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1455.209303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.209303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.209303 (E_RNA) where: Base-Base interactions energy: -1011.863 where: short stacking energy: -426.817 Base-Backbone interact. energy: -0.604 local terms energy: -442.742518 where: bonds (distance) C4'-P energy: -81.831 bonds (distance) P-C4' energy: -91.182 flat angles C4'-P-C4' energy: -88.009 flat angles P-C4'-P energy: -55.309 tors. eta vs tors. theta energy: -126.410 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: 4 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1215.013019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.013019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.013019 (E_RNA) where: Base-Base interactions energy: -802.690 where: short stacking energy: -342.175 Base-Backbone interact. energy: -0.268 local terms energy: -412.055023 where: bonds (distance) C4'-P energy: -99.799 bonds (distance) P-C4' energy: -89.258 flat angles C4'-P-C4' energy: -87.400 flat angles P-C4'-P energy: -41.581 tors. eta vs tors. theta energy: -94.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1079.646904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.646904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.646904 (E_RNA) where: Base-Base interactions energy: -696.796 where: short stacking energy: -298.190 Base-Backbone interact. energy: -2.100 local terms energy: -380.751300 where: bonds (distance) C4'-P energy: -71.396 bonds (distance) P-C4' energy: -81.164 flat angles C4'-P-C4' energy: -95.961 flat angles P-C4'-P energy: -57.216 tors. eta vs tors. theta energy: -75.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -868.002435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.002435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.002435 (E_RNA) where: Base-Base interactions energy: -527.908 where: short stacking energy: -255.077 Base-Backbone interact. energy: -1.242 local terms energy: -338.851749 where: bonds (distance) C4'-P energy: -72.152 bonds (distance) P-C4' energy: -85.829 flat angles C4'-P-C4' energy: -87.427 flat angles P-C4'-P energy: -50.197 tors. eta vs tors. theta energy: -43.246 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: 1 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -690.483372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.483372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.483372 (E_RNA) where: Base-Base interactions energy: -399.469 where: short stacking energy: -220.390 Base-Backbone interact. energy: 3.077 local terms energy: -294.090713 where: bonds (distance) C4'-P energy: -77.815 bonds (distance) P-C4' energy: -75.443 flat angles C4'-P-C4' energy: -70.496 flat angles P-C4'-P energy: -48.728 tors. eta vs tors. theta energy: -21.608 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: 3 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -565.366189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.366189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.366189 (E_RNA) where: Base-Base interactions energy: -296.677 where: short stacking energy: -167.210 Base-Backbone interact. energy: 3.428 local terms energy: -272.117055 where: bonds (distance) C4'-P energy: -80.162 bonds (distance) P-C4' energy: -88.877 flat angles C4'-P-C4' energy: -74.109 flat angles P-C4'-P energy: -31.388 tors. eta vs tors. theta energy: 2.419 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: 6 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1742.543490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.543490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.543490 (E_RNA) where: Base-Base interactions energy: -1192.193 where: short stacking energy: -530.144 Base-Backbone interact. energy: -1.291 local terms energy: -549.059229 where: bonds (distance) C4'-P energy: -92.745 bonds (distance) P-C4' energy: -109.409 flat angles C4'-P-C4' energy: -110.426 flat angles P-C4'-P energy: -72.611 tors. eta vs tors. theta energy: -163.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1655.322102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.322102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.322102 (E_RNA) where: Base-Base interactions energy: -1147.168 where: short stacking energy: -500.977 Base-Backbone interact. energy: -2.169 local terms energy: -505.985585 where: bonds (distance) C4'-P energy: -99.137 bonds (distance) P-C4' energy: -87.774 flat angles C4'-P-C4' energy: -114.927 flat angles P-C4'-P energy: -64.723 tors. eta vs tors. theta energy: -139.424 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: 10 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1598.234901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.234901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.234901 (E_RNA) where: Base-Base interactions energy: -1114.730 where: short stacking energy: -456.332 Base-Backbone interact. energy: -2.628 local terms energy: -480.877040 where: bonds (distance) C4'-P energy: -82.155 bonds (distance) P-C4' energy: -88.831 flat angles C4'-P-C4' energy: -106.140 flat angles P-C4'-P energy: -73.947 tors. eta vs tors. theta energy: -129.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1546.270739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.270739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.270739 (E_RNA) where: Base-Base interactions energy: -1051.099 where: short stacking energy: -435.611 Base-Backbone interact. energy: -3.714 local terms energy: -491.457210 where: bonds (distance) C4'-P energy: -102.081 bonds (distance) P-C4' energy: -90.966 flat angles C4'-P-C4' energy: -97.761 flat angles P-C4'-P energy: -69.196 tors. eta vs tors. theta energy: -131.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -1499.112084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.112084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.112084 (E_RNA) where: Base-Base interactions energy: -1052.908 where: short stacking energy: -464.946 Base-Backbone interact. energy: 0.091 local terms energy: -446.295203 where: bonds (distance) C4'-P energy: -72.847 bonds (distance) P-C4' energy: -86.569 flat angles C4'-P-C4' energy: -100.985 flat angles P-C4'-P energy: -51.526 tors. eta vs tors. theta energy: -134.368 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: 4 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1197.778171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.778171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.778171 (E_RNA) where: Base-Base interactions energy: -780.598 where: short stacking energy: -337.738 Base-Backbone interact. energy: 0.320 local terms energy: -417.500404 where: bonds (distance) C4'-P energy: -80.511 bonds (distance) P-C4' energy: -100.666 flat angles C4'-P-C4' energy: -93.473 flat angles P-C4'-P energy: -69.105 tors. eta vs tors. theta energy: -73.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1063.588022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.588022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.588022 (E_RNA) where: Base-Base interactions energy: -657.263 where: short stacking energy: -304.081 Base-Backbone interact. energy: 0.308 local terms energy: -406.633106 where: bonds (distance) C4'-P energy: -94.154 bonds (distance) P-C4' energy: -85.851 flat angles C4'-P-C4' energy: -91.005 flat angles P-C4'-P energy: -64.976 tors. eta vs tors. theta energy: -70.648 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: 9 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -852.428659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.428659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.428659 (E_RNA) where: Base-Base interactions energy: -517.660 where: short stacking energy: -251.619 Base-Backbone interact. energy: 3.835 local terms energy: -338.603994 where: bonds (distance) C4'-P energy: -80.773 bonds (distance) P-C4' energy: -95.503 flat angles C4'-P-C4' energy: -80.511 flat angles P-C4'-P energy: -46.138 tors. eta vs tors. theta energy: -35.679 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: 1 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -681.540412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.540412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.540412 (E_RNA) where: Base-Base interactions energy: -408.396 where: short stacking energy: -197.802 Base-Backbone interact. energy: -2.294 local terms energy: -270.849634 where: bonds (distance) C4'-P energy: -64.535 bonds (distance) P-C4' energy: -77.989 flat angles C4'-P-C4' energy: -79.112 flat angles P-C4'-P energy: -33.855 tors. eta vs tors. theta energy: -15.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -563.975646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.975646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.975646 (E_RNA) where: Base-Base interactions energy: -299.697 where: short stacking energy: -165.531 Base-Backbone interact. energy: 2.841 local terms energy: -267.119598 where: bonds (distance) C4'-P energy: -56.020 bonds (distance) P-C4' energy: -91.258 flat angles C4'-P-C4' energy: -60.764 flat angles P-C4'-P energy: -44.607 tors. eta vs tors. theta energy: -14.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1749.551890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.551890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.551890 (E_RNA) where: Base-Base interactions energy: -1196.956 where: short stacking energy: -549.788 Base-Backbone interact. energy: -0.882 local terms energy: -551.713797 where: bonds (distance) C4'-P energy: -93.921 bonds (distance) P-C4' energy: -99.314 flat angles C4'-P-C4' energy: -111.663 flat angles P-C4'-P energy: -75.951 tors. eta vs tors. theta energy: -170.864 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: 8 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1658.760082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.760082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.760082 (E_RNA) where: Base-Base interactions energy: -1160.175 where: short stacking energy: -506.525 Base-Backbone interact. energy: -0.216 local terms energy: -498.368818 where: bonds (distance) C4'-P energy: -79.023 bonds (distance) P-C4' energy: -106.100 flat angles C4'-P-C4' energy: -111.292 flat angles P-C4'-P energy: -61.344 tors. eta vs tors. theta energy: -140.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1555.689389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.689389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.689389 (E_RNA) where: Base-Base interactions energy: -1084.688 where: short stacking energy: -455.258 Base-Backbone interact. energy: -0.219 local terms energy: -470.781822 where: bonds (distance) C4'-P energy: -88.471 bonds (distance) P-C4' energy: -89.241 flat angles C4'-P-C4' energy: -108.421 flat angles P-C4'-P energy: -62.526 tors. eta vs tors. theta energy: -122.123 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: 7 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1519.034191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.034191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.034191 (E_RNA) where: Base-Base interactions energy: -1044.246 where: short stacking energy: -445.795 Base-Backbone interact. energy: -1.040 local terms energy: -473.748033 where: bonds (distance) C4'-P energy: -78.252 bonds (distance) P-C4' energy: -92.096 flat angles C4'-P-C4' energy: -96.665 flat angles P-C4'-P energy: -75.675 tors. eta vs tors. theta energy: -131.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1478.352781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.352781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.352781 (E_RNA) where: Base-Base interactions energy: -1003.046 where: short stacking energy: -433.440 Base-Backbone interact. energy: -0.490 local terms energy: -474.816647 where: bonds (distance) C4'-P energy: -90.485 bonds (distance) P-C4' energy: -83.233 flat angles C4'-P-C4' energy: -102.404 flat angles P-C4'-P energy: -72.598 tors. eta vs tors. theta energy: -126.096 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: 4 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1237.991890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.991890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.991890 (E_RNA) where: Base-Base interactions energy: -819.587 where: short stacking energy: -336.415 Base-Backbone interact. energy: -3.105 local terms energy: -415.299965 where: bonds (distance) C4'-P energy: -85.826 bonds (distance) P-C4' energy: -97.175 flat angles C4'-P-C4' energy: -82.148 flat angles P-C4'-P energy: -66.706 tors. eta vs tors. theta energy: -83.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1078.967781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.967781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.967781 (E_RNA) where: Base-Base interactions energy: -704.446 where: short stacking energy: -320.920 Base-Backbone interact. energy: -0.361 local terms energy: -374.161528 where: bonds (distance) C4'-P energy: -81.847 bonds (distance) P-C4' energy: -77.469 flat angles C4'-P-C4' energy: -88.139 flat angles P-C4'-P energy: -53.140 tors. eta vs tors. theta energy: -73.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -885.719203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.719203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.719203 (E_RNA) where: Base-Base interactions energy: -544.182 where: short stacking energy: -253.208 Base-Backbone interact. energy: -0.090 local terms energy: -341.446772 where: bonds (distance) C4'-P energy: -81.041 bonds (distance) P-C4' energy: -80.692 flat angles C4'-P-C4' energy: -85.111 flat angles P-C4'-P energy: -48.030 tors. eta vs tors. theta energy: -46.573 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: 1 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -749.794070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.794070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.794070 (E_RNA) where: Base-Base interactions energy: -450.395 where: short stacking energy: -197.182 Base-Backbone interact. energy: -2.174 local terms energy: -297.224360 where: bonds (distance) C4'-P energy: -73.573 bonds (distance) P-C4' energy: -68.326 flat angles C4'-P-C4' energy: -83.999 flat angles P-C4'-P energy: -44.207 tors. eta vs tors. theta energy: -27.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -545.739323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.739323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.739323 (E_RNA) where: Base-Base interactions energy: -253.263 where: short stacking energy: -137.228 Base-Backbone interact. energy: -4.706 local terms energy: -287.770255 where: bonds (distance) C4'-P energy: -84.810 bonds (distance) P-C4' energy: -87.252 flat angles C4'-P-C4' energy: -63.530 flat angles P-C4'-P energy: -61.187 tors. eta vs tors. theta energy: 9.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1752.350375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.350375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.350375 (E_RNA) where: Base-Base interactions energy: -1192.561 where: short stacking energy: -541.494 Base-Backbone interact. energy: -1.333 local terms energy: -558.457088 where: bonds (distance) C4'-P energy: -87.796 bonds (distance) P-C4' energy: -109.570 flat angles C4'-P-C4' energy: -111.274 flat angles P-C4'-P energy: -83.312 tors. eta vs tors. theta energy: -166.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1670.786338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.786338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.786338 (E_RNA) where: Base-Base interactions energy: -1151.571 where: short stacking energy: -505.035 Base-Backbone interact. energy: -0.551 local terms energy: -518.664374 where: bonds (distance) C4'-P energy: -96.546 bonds (distance) P-C4' energy: -100.974 flat angles C4'-P-C4' energy: -109.030 flat angles P-C4'-P energy: -66.134 tors. eta vs tors. theta energy: -145.980 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: 10 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1567.030820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.030820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.030820 (E_RNA) where: Base-Base interactions energy: -1052.462 where: short stacking energy: -441.690 Base-Backbone interact. energy: -0.878 local terms energy: -513.691396 where: bonds (distance) C4'-P energy: -92.632 bonds (distance) P-C4' energy: -107.724 flat angles C4'-P-C4' energy: -106.131 flat angles P-C4'-P energy: -71.992 tors. eta vs tors. theta energy: -135.212 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: 7 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1520.060761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.060761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.060761 (E_RNA) where: Base-Base interactions energy: -1053.253 where: short stacking energy: -463.536 Base-Backbone interact. energy: 1.951 local terms energy: -468.758831 where: bonds (distance) C4'-P energy: -92.812 bonds (distance) P-C4' energy: -88.267 flat angles C4'-P-C4' energy: -97.455 flat angles P-C4'-P energy: -60.315 tors. eta vs tors. theta energy: -129.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -1468.901050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.901050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.901050 (E_RNA) where: Base-Base interactions energy: -1016.881 where: short stacking energy: -426.942 Base-Backbone interact. energy: 5.074 local terms energy: -457.094094 where: bonds (distance) C4'-P energy: -80.307 bonds (distance) P-C4' energy: -79.568 flat angles C4'-P-C4' energy: -93.922 flat angles P-C4'-P energy: -68.981 tors. eta vs tors. theta energy: -134.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1208.395848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.395848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.395848 (E_RNA) where: Base-Base interactions energy: -828.823 where: short stacking energy: -348.550 Base-Backbone interact. energy: -2.297 local terms energy: -377.276756 where: bonds (distance) C4'-P energy: -82.663 bonds (distance) P-C4' energy: -82.356 flat angles C4'-P-C4' energy: -81.764 flat angles P-C4'-P energy: -40.069 tors. eta vs tors. theta energy: -90.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1022.694784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.694784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.694784 (E_RNA) where: Base-Base interactions energy: -650.350 where: short stacking energy: -284.807 Base-Backbone interact. energy: -0.786 local terms energy: -371.558764 where: bonds (distance) C4'-P energy: -80.489 bonds (distance) P-C4' energy: -96.089 flat angles C4'-P-C4' energy: -84.120 flat angles P-C4'-P energy: -46.386 tors. eta vs tors. theta energy: -64.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -826.138017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.138017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.138017 (E_RNA) where: Base-Base interactions energy: -506.327 where: short stacking energy: -224.350 Base-Backbone interact. energy: 2.046 local terms energy: -321.857063 where: bonds (distance) C4'-P energy: -88.871 bonds (distance) P-C4' energy: -72.968 flat angles C4'-P-C4' energy: -84.386 flat angles P-C4'-P energy: -42.077 tors. eta vs tors. theta energy: -33.555 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: 1 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -758.248594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.248594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.248594 (E_RNA) where: Base-Base interactions energy: -458.008 where: short stacking energy: -217.052 Base-Backbone interact. energy: 0.148 local terms energy: -300.389024 where: bonds (distance) C4'-P energy: -73.477 bonds (distance) P-C4' energy: -84.041 flat angles C4'-P-C4' energy: -70.535 flat angles P-C4'-P energy: -42.426 tors. eta vs tors. theta energy: -29.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -517.107075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.107075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.107075 (E_RNA) where: Base-Base interactions energy: -253.603 where: short stacking energy: -150.796 Base-Backbone interact. energy: -2.154 local terms energy: -261.349702 where: bonds (distance) C4'-P energy: -75.286 bonds (distance) P-C4' energy: -68.875 flat angles C4'-P-C4' energy: -65.194 flat angles P-C4'-P energy: -50.241 tors. eta vs tors. theta energy: -1.754 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: 6 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1764.218269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.218269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.218269 (E_RNA) where: Base-Base interactions energy: -1219.608 where: short stacking energy: -548.104 Base-Backbone interact. energy: -0.985 local terms energy: -543.625776 where: bonds (distance) C4'-P energy: -88.388 bonds (distance) P-C4' energy: -99.248 flat angles C4'-P-C4' energy: -113.354 flat angles P-C4'-P energy: -78.910 tors. eta vs tors. theta energy: -163.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1652.250896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.250896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.250896 (E_RNA) where: Base-Base interactions energy: -1165.603 where: short stacking energy: -493.426 Base-Backbone interact. energy: 0.671 local terms energy: -487.318736 where: bonds (distance) C4'-P energy: -97.090 bonds (distance) P-C4' energy: -87.720 flat angles C4'-P-C4' energy: -102.920 flat angles P-C4'-P energy: -65.267 tors. eta vs tors. theta energy: -134.322 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: 10 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1557.033977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.033977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.033977 (E_RNA) where: Base-Base interactions energy: -1068.496 where: short stacking energy: -476.511 Base-Backbone interact. energy: -1.746 local terms energy: -486.791241 where: bonds (distance) C4'-P energy: -71.698 bonds (distance) P-C4' energy: -93.105 flat angles C4'-P-C4' energy: -103.617 flat angles P-C4'-P energy: -79.063 tors. eta vs tors. theta energy: -139.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1451.019321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.019321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.019321 (E_RNA) where: Base-Base interactions energy: -996.689 where: short stacking energy: -427.577 Base-Backbone interact. energy: -0.066 local terms energy: -454.264674 where: bonds (distance) C4'-P energy: -78.237 bonds (distance) P-C4' energy: -92.974 flat angles C4'-P-C4' energy: -95.447 flat angles P-C4'-P energy: -65.925 tors. eta vs tors. theta energy: -121.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -1534.786611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.786611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.786611 (E_RNA) where: Base-Base interactions energy: -1029.441 where: short stacking energy: -458.204 Base-Backbone interact. energy: -0.860 local terms energy: -504.485066 where: bonds (distance) C4'-P energy: -87.457 bonds (distance) P-C4' energy: -90.393 flat angles C4'-P-C4' energy: -113.838 flat angles P-C4'-P energy: -66.519 tors. eta vs tors. theta energy: -146.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1233.001495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.001495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.001495 (E_RNA) where: Base-Base interactions energy: -820.164 where: short stacking energy: -345.450 Base-Backbone interact. energy: -6.681 local terms energy: -406.156478 where: bonds (distance) C4'-P energy: -97.757 bonds (distance) P-C4' energy: -75.626 flat angles C4'-P-C4' energy: -88.919 flat angles P-C4'-P energy: -50.361 tors. eta vs tors. theta energy: -93.494 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: 5 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -992.210520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.210520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.210520 (E_RNA) where: Base-Base interactions energy: -618.953 where: short stacking energy: -287.124 Base-Backbone interact. energy: -0.926 local terms energy: -372.331827 where: bonds (distance) C4'-P energy: -74.303 bonds (distance) P-C4' energy: -83.563 flat angles C4'-P-C4' energy: -89.342 flat angles P-C4'-P energy: -62.995 tors. eta vs tors. theta energy: -62.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -799.014965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.014965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.014965 (E_RNA) where: Base-Base interactions energy: -470.035 where: short stacking energy: -216.406 Base-Backbone interact. energy: 2.843 local terms energy: -331.823135 where: bonds (distance) C4'-P energy: -75.727 bonds (distance) P-C4' energy: -86.384 flat angles C4'-P-C4' energy: -94.583 flat angles P-C4'-P energy: -49.377 tors. eta vs tors. theta energy: -25.752 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: 1 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -753.310181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.310181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.310181 (E_RNA) where: Base-Base interactions energy: -459.389 where: short stacking energy: -216.330 Base-Backbone interact. energy: -2.325 local terms energy: -291.596613 where: bonds (distance) C4'-P energy: -74.954 bonds (distance) P-C4' energy: -71.072 flat angles C4'-P-C4' energy: -73.188 flat angles P-C4'-P energy: -45.449 tors. eta vs tors. theta energy: -26.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -527.947254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.947254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.947254 (E_RNA) where: Base-Base interactions energy: -273.465 where: short stacking energy: -179.726 Base-Backbone interact. energy: 1.320 local terms energy: -255.801982 where: bonds (distance) C4'-P energy: -73.493 bonds (distance) P-C4' energy: -63.380 flat angles C4'-P-C4' energy: -80.306 flat angles P-C4'-P energy: -44.616 tors. eta vs tors. theta energy: 5.994 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: 1, replica: 6 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1748.688109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.688109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.688109 (E_RNA) where: Base-Base interactions energy: -1202.964 where: short stacking energy: -548.587 Base-Backbone interact. energy: -1.807 local terms energy: -543.917207 where: bonds (distance) C4'-P energy: -90.801 bonds (distance) P-C4' energy: -102.409 flat angles C4'-P-C4' energy: -110.573 flat angles P-C4'-P energy: -77.013 tors. eta vs tors. theta energy: -163.121 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: 373 Temperature: 0.950000 Total energy: -1651.452340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.452340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.452340 (E_RNA) where: Base-Base interactions energy: -1141.066 where: short stacking energy: -496.363 Base-Backbone interact. energy: -2.349 local terms energy: -508.037966 where: bonds (distance) C4'-P energy: -94.625 bonds (distance) P-C4' energy: -97.237 flat angles C4'-P-C4' energy: -110.627 flat angles P-C4'-P energy: -69.914 tors. eta vs tors. theta energy: -135.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1559.633513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.633513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.633513 (E_RNA) where: Base-Base interactions energy: -1074.553 where: short stacking energy: -452.423 Base-Backbone interact. energy: -1.514 local terms energy: -483.566488 where: bonds (distance) C4'-P energy: -100.094 bonds (distance) P-C4' energy: -84.144 flat angles C4'-P-C4' energy: -103.793 flat angles P-C4'-P energy: -62.618 tors. eta vs tors. theta energy: -132.917 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: 2 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1540.527188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.527188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.527188 (E_RNA) where: Base-Base interactions energy: -1073.864 where: short stacking energy: -456.605 Base-Backbone interact. energy: -1.569 local terms energy: -465.094275 where: bonds (distance) C4'-P energy: -85.173 bonds (distance) P-C4' energy: -95.667 flat angles C4'-P-C4' energy: -92.385 flat angles P-C4'-P energy: -63.116 tors. eta vs tors. theta energy: -128.753 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: 5, replica: 7 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -1387.888575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.888575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.888575 (E_RNA) where: Base-Base interactions energy: -944.924 where: short stacking energy: -410.242 Base-Backbone interact. energy: -1.871 local terms energy: -441.094205 where: bonds (distance) C4'-P energy: -87.239 bonds (distance) P-C4' energy: -80.435 flat angles C4'-P-C4' energy: -94.350 flat angles P-C4'-P energy: -68.353 tors. eta vs tors. theta energy: -110.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1232.463525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.463525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.463525 (E_RNA) where: Base-Base interactions energy: -818.382 where: short stacking energy: -328.971 Base-Backbone interact. energy: -0.949 local terms energy: -413.133182 where: bonds (distance) C4'-P energy: -91.265 bonds (distance) P-C4' energy: -90.676 flat angles C4'-P-C4' energy: -97.364 flat angles P-C4'-P energy: -51.714 tors. eta vs tors. theta energy: -82.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -998.890289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.890289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.890289 (E_RNA) where: Base-Base interactions energy: -655.175 where: short stacking energy: -310.698 Base-Backbone interact. energy: 2.741 local terms energy: -346.456273 where: bonds (distance) C4'-P energy: -76.107 bonds (distance) P-C4' energy: -82.189 flat angles C4'-P-C4' energy: -87.760 flat angles P-C4'-P energy: -44.553 tors. eta vs tors. theta energy: -55.847 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: 9 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -895.029225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.029225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.029225 (E_RNA) where: Base-Base interactions energy: -545.600 where: short stacking energy: -238.849 Base-Backbone interact. energy: -2.925 local terms energy: -346.504230 where: bonds (distance) C4'-P energy: -88.273 bonds (distance) P-C4' energy: -79.070 flat angles C4'-P-C4' energy: -72.828 flat angles P-C4'-P energy: -57.998 tors. eta vs tors. theta energy: -48.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -726.861808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.861808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.861808 (E_RNA) where: Base-Base interactions energy: -402.005 where: short stacking energy: -206.378 Base-Backbone interact. energy: -0.479 local terms energy: -324.377510 where: bonds (distance) C4'-P energy: -85.829 bonds (distance) P-C4' energy: -76.437 flat angles C4'-P-C4' energy: -76.635 flat angles P-C4'-P energy: -51.310 tors. eta vs tors. theta energy: -34.167 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: 3 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -515.349473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.349473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.349473 (E_RNA) where: Base-Base interactions energy: -226.554 where: short stacking energy: -135.856 Base-Backbone interact. energy: -0.746 local terms energy: -288.048697 where: bonds (distance) C4'-P energy: -81.331 bonds (distance) P-C4' energy: -79.735 flat angles C4'-P-C4' energy: -71.311 flat angles P-C4'-P energy: -46.101 tors. eta vs tors. theta energy: -9.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1759.950237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.950237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.950237 (E_RNA) where: Base-Base interactions energy: -1192.793 where: short stacking energy: -533.269 Base-Backbone interact. energy: -2.978 local terms energy: -564.179438 where: bonds (distance) C4'-P energy: -101.425 bonds (distance) P-C4' energy: -102.174 flat angles C4'-P-C4' energy: -114.969 flat angles P-C4'-P energy: -81.162 tors. eta vs tors. theta energy: -164.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1677.230152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.230152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.230152 (E_RNA) where: Base-Base interactions energy: -1164.327 where: short stacking energy: -491.391 Base-Backbone interact. energy: -0.492 local terms energy: -512.410354 where: bonds (distance) C4'-P energy: -94.801 bonds (distance) P-C4' energy: -104.137 flat angles C4'-P-C4' energy: -109.590 flat angles P-C4'-P energy: -67.192 tors. eta vs tors. theta energy: -136.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1574.387899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.387899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.387899 (E_RNA) where: Base-Base interactions energy: -1077.215 where: short stacking energy: -466.617 Base-Backbone interact. energy: 2.345 local terms energy: -499.518021 where: bonds (distance) C4'-P energy: -83.900 bonds (distance) P-C4' energy: -94.464 flat angles C4'-P-C4' energy: -112.707 flat angles P-C4'-P energy: -75.756 tors. eta vs tors. theta energy: -132.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -1542.622064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.622064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.622064 (E_RNA) where: Base-Base interactions energy: -1060.674 where: short stacking energy: -464.999 Base-Backbone interact. energy: -1.194 local terms energy: -480.753916 where: bonds (distance) C4'-P energy: -79.480 bonds (distance) P-C4' energy: -87.572 flat angles C4'-P-C4' energy: -108.971 flat angles P-C4'-P energy: -66.184 tors. eta vs tors. theta energy: -138.547 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: 7 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -1440.658550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.658550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.658550 (E_RNA) where: Base-Base interactions energy: -971.467 where: short stacking energy: -437.553 Base-Backbone interact. energy: -2.873 local terms energy: -466.318200 where: bonds (distance) C4'-P energy: -80.551 bonds (distance) P-C4' energy: -103.748 flat angles C4'-P-C4' energy: -96.792 flat angles P-C4'-P energy: -72.354 tors. eta vs tors. theta energy: -112.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1223.543054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.543054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.543054 (E_RNA) where: Base-Base interactions energy: -804.115 where: short stacking energy: -333.204 Base-Backbone interact. energy: -4.025 local terms energy: -415.403068 where: bonds (distance) C4'-P energy: -87.370 bonds (distance) P-C4' energy: -89.223 flat angles C4'-P-C4' energy: -84.844 flat angles P-C4'-P energy: -60.263 tors. eta vs tors. theta energy: -93.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1068.506942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.506942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.506942 (E_RNA) where: Base-Base interactions energy: -682.198 where: short stacking energy: -335.899 Base-Backbone interact. energy: 1.120 local terms energy: -387.428506 where: bonds (distance) C4'-P energy: -73.367 bonds (distance) P-C4' energy: -96.546 flat angles C4'-P-C4' energy: -90.533 flat angles P-C4'-P energy: -49.892 tors. eta vs tors. theta energy: -77.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -895.530734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.530734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.530734 (E_RNA) where: Base-Base interactions energy: -532.946 where: short stacking energy: -234.351 Base-Backbone interact. energy: 2.090 local terms energy: -364.675427 where: bonds (distance) C4'-P energy: -91.433 bonds (distance) P-C4' energy: -92.871 flat angles C4'-P-C4' energy: -79.929 flat angles P-C4'-P energy: -50.919 tors. eta vs tors. theta energy: -49.523 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: 1 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -705.628658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.628658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.628658 (E_RNA) where: Base-Base interactions energy: -405.540 where: short stacking energy: -206.668 Base-Backbone interact. energy: 0.179 local terms energy: -300.268186 where: bonds (distance) C4'-P energy: -74.315 bonds (distance) P-C4' energy: -72.967 flat angles C4'-P-C4' energy: -74.149 flat angles P-C4'-P energy: -49.274 tors. eta vs tors. theta energy: -29.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -554.571287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.571287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.571287 (E_RNA) where: Base-Base interactions energy: -264.952 where: short stacking energy: -161.630 Base-Backbone interact. energy: -2.129 local terms energy: -287.490327 where: bonds (distance) C4'-P energy: -73.592 bonds (distance) P-C4' energy: -93.716 flat angles C4'-P-C4' energy: -77.457 flat angles P-C4'-P energy: -43.243 tors. eta vs tors. theta energy: 0.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1756.482363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.482363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.482363 (E_RNA) where: Base-Base interactions energy: -1192.593 where: short stacking energy: -522.112 Base-Backbone interact. energy: -1.530 local terms energy: -562.360172 where: bonds (distance) C4'-P energy: -88.656 bonds (distance) P-C4' energy: -101.193 flat angles C4'-P-C4' energy: -118.518 flat angles P-C4'-P energy: -85.213 tors. eta vs tors. theta energy: -168.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1667.245634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.245634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.245634 (E_RNA) where: Base-Base interactions energy: -1146.423 where: short stacking energy: -493.873 Base-Backbone interact. energy: -3.606 local terms energy: -517.217102 where: bonds (distance) C4'-P energy: -99.264 bonds (distance) P-C4' energy: -100.016 flat angles C4'-P-C4' energy: -108.280 flat angles P-C4'-P energy: -69.974 tors. eta vs tors. theta energy: -139.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1546.743430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.743430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.743430 (E_RNA) where: Base-Base interactions energy: -1075.061 where: short stacking energy: -465.674 Base-Backbone interact. energy: -0.478 local terms energy: -471.204643 where: bonds (distance) C4'-P energy: -91.361 bonds (distance) P-C4' energy: -82.248 flat angles C4'-P-C4' energy: -97.571 flat angles P-C4'-P energy: -78.042 tors. eta vs tors. theta energy: -121.983 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: 375 Temperature: 1.050000 Total energy: -1480.261519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.261519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.261519 (E_RNA) where: Base-Base interactions energy: -1008.422 where: short stacking energy: -439.548 Base-Backbone interact. energy: -1.572 local terms energy: -470.267611 where: bonds (distance) C4'-P energy: -88.512 bonds (distance) P-C4' energy: -82.639 flat angles C4'-P-C4' energy: -90.523 flat angles P-C4'-P energy: -80.201 tors. eta vs tors. theta energy: -128.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1478.880577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.880577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.880577 (E_RNA) where: Base-Base interactions energy: -1006.084 where: short stacking energy: -443.446 Base-Backbone interact. energy: 0.383 local terms energy: -473.179783 where: bonds (distance) C4'-P energy: -83.317 bonds (distance) P-C4' energy: -85.828 flat angles C4'-P-C4' energy: -96.322 flat angles P-C4'-P energy: -70.929 tors. eta vs tors. theta energy: -136.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1190.134420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.134420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.134420 (E_RNA) where: Base-Base interactions energy: -780.968 where: short stacking energy: -336.686 Base-Backbone interact. energy: -0.049 local terms energy: -409.118156 where: bonds (distance) C4'-P energy: -72.977 bonds (distance) P-C4' energy: -95.118 flat angles C4'-P-C4' energy: -99.674 flat angles P-C4'-P energy: -67.910 tors. eta vs tors. theta energy: -73.439 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: 5 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1034.071906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.071906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.071906 (E_RNA) where: Base-Base interactions energy: -654.049 where: short stacking energy: -309.142 Base-Backbone interact. energy: 2.204 local terms energy: -382.226925 where: bonds (distance) C4'-P energy: -86.418 bonds (distance) P-C4' energy: -78.462 flat angles C4'-P-C4' energy: -87.897 flat angles P-C4'-P energy: -61.385 tors. eta vs tors. theta energy: -68.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -827.639062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.639062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.639062 (E_RNA) where: Base-Base interactions energy: -510.839 where: short stacking energy: -248.121 Base-Backbone interact. energy: -2.215 local terms energy: -314.585650 where: bonds (distance) C4'-P energy: -77.488 bonds (distance) P-C4' energy: -74.308 flat angles C4'-P-C4' energy: -66.477 flat angles P-C4'-P energy: -46.038 tors. eta vs tors. theta energy: -50.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -745.379291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.379291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.379291 (E_RNA) where: Base-Base interactions energy: -450.086 where: short stacking energy: -211.838 Base-Backbone interact. energy: -1.274 local terms energy: -294.019177 where: bonds (distance) C4'-P energy: -80.194 bonds (distance) P-C4' energy: -78.558 flat angles C4'-P-C4' energy: -57.977 flat angles P-C4'-P energy: -46.451 tors. eta vs tors. theta energy: -30.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -501.058245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.058245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.058245 (E_RNA) where: Base-Base interactions energy: -249.234 where: short stacking energy: -146.859 Base-Backbone interact. energy: 5.631 local terms energy: -257.455268 where: bonds (distance) C4'-P energy: -84.693 bonds (distance) P-C4' energy: -81.657 flat angles C4'-P-C4' energy: -58.236 flat angles P-C4'-P energy: -40.016 tors. eta vs tors. theta energy: 7.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1751.891836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.891836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.891836 (E_RNA) where: Base-Base interactions energy: -1218.948 where: short stacking energy: -533.244 Base-Backbone interact. energy: 1.287 local terms energy: -534.230657 where: bonds (distance) C4'-P energy: -92.714 bonds (distance) P-C4' energy: -97.054 flat angles C4'-P-C4' energy: -111.459 flat angles P-C4'-P energy: -73.469 tors. eta vs tors. theta energy: -159.535 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: 8 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1654.641424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.641424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.641424 (E_RNA) where: Base-Base interactions energy: -1149.510 where: short stacking energy: -483.566 Base-Backbone interact. energy: -0.302 local terms energy: -504.828764 where: bonds (distance) C4'-P energy: -84.014 bonds (distance) P-C4' energy: -95.542 flat angles C4'-P-C4' energy: -105.261 flat angles P-C4'-P energy: -81.305 tors. eta vs tors. theta energy: -138.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1550.482643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.482643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.482643 (E_RNA) where: Base-Base interactions energy: -1072.810 where: short stacking energy: -448.541 Base-Backbone interact. energy: -1.879 local terms energy: -475.793792 where: bonds (distance) C4'-P energy: -93.677 bonds (distance) P-C4' energy: -99.050 flat angles C4'-P-C4' energy: -91.474 flat angles P-C4'-P energy: -69.757 tors. eta vs tors. theta energy: -121.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1503.917131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.917131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.917131 (E_RNA) where: Base-Base interactions energy: -1011.543 where: short stacking energy: -437.387 Base-Backbone interact. energy: -0.800 local terms energy: -491.573609 where: bonds (distance) C4'-P energy: -86.851 bonds (distance) P-C4' energy: -96.158 flat angles C4'-P-C4' energy: -105.958 flat angles P-C4'-P energy: -78.891 tors. eta vs tors. theta energy: -123.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -1428.139303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.139303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.139303 (E_RNA) where: Base-Base interactions energy: -980.359 where: short stacking energy: -422.276 Base-Backbone interact. energy: -0.851 local terms energy: -446.928834 where: bonds (distance) C4'-P energy: -85.148 bonds (distance) P-C4' energy: -83.624 flat angles C4'-P-C4' energy: -88.857 flat angles P-C4'-P energy: -71.057 tors. eta vs tors. theta energy: -118.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1200.423689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.423689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.423689 (E_RNA) where: Base-Base interactions energy: -779.882 where: short stacking energy: -344.495 Base-Backbone interact. energy: 0.996 local terms energy: -421.537535 where: bonds (distance) C4'-P energy: -95.849 bonds (distance) P-C4' energy: -91.699 flat angles C4'-P-C4' energy: -85.598 flat angles P-C4'-P energy: -49.735 tors. eta vs tors. theta energy: -98.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -986.947467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.947467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.947467 (E_RNA) where: Base-Base interactions energy: -620.076 where: short stacking energy: -271.353 Base-Backbone interact. energy: 4.213 local terms energy: -371.084155 where: bonds (distance) C4'-P energy: -85.065 bonds (distance) P-C4' energy: -89.281 flat angles C4'-P-C4' energy: -92.866 flat angles P-C4'-P energy: -54.175 tors. eta vs tors. theta energy: -49.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -845.368229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.368229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.368229 (E_RNA) where: Base-Base interactions energy: -515.079 where: short stacking energy: -235.423 Base-Backbone interact. energy: 4.616 local terms energy: -334.905463 where: bonds (distance) C4'-P energy: -79.209 bonds (distance) P-C4' energy: -72.538 flat angles C4'-P-C4' energy: -80.213 flat angles P-C4'-P energy: -60.628 tors. eta vs tors. theta energy: -42.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -724.900635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.900635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.900635 (E_RNA) where: Base-Base interactions energy: -397.230 where: short stacking energy: -200.018 Base-Backbone interact. energy: -2.062 local terms energy: -325.608130 where: bonds (distance) C4'-P energy: -80.248 bonds (distance) P-C4' energy: -85.905 flat angles C4'-P-C4' energy: -69.754 flat angles P-C4'-P energy: -63.156 tors. eta vs tors. theta energy: -26.545 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: 10, replica: 3 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -504.467949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.467949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.467949 (E_RNA) where: Base-Base interactions energy: -238.227 where: short stacking energy: -147.380 Base-Backbone interact. energy: -3.872 local terms energy: -262.368112 where: bonds (distance) C4'-P energy: -73.426 bonds (distance) P-C4' energy: -87.220 flat angles C4'-P-C4' energy: -66.049 flat angles P-C4'-P energy: -35.474 tors. eta vs tors. theta energy: -0.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1764.993467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.993467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.993467 (E_RNA) where: Base-Base interactions energy: -1198.159 where: short stacking energy: -543.628 Base-Backbone interact. energy: -2.876 local terms energy: -563.958184 where: bonds (distance) C4'-P energy: -100.630 bonds (distance) P-C4' energy: -98.383 flat angles C4'-P-C4' energy: -113.087 flat angles P-C4'-P energy: -83.059 tors. eta vs tors. theta energy: -168.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1638.831605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.831605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.831605 (E_RNA) where: Base-Base interactions energy: -1148.675 where: short stacking energy: -490.808 Base-Backbone interact. energy: -0.193 local terms energy: -489.963722 where: bonds (distance) C4'-P energy: -91.942 bonds (distance) P-C4' energy: -82.133 flat angles C4'-P-C4' energy: -99.876 flat angles P-C4'-P energy: -88.678 tors. eta vs tors. theta energy: -127.335 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: 10 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1555.805747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.805747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.805747 (E_RNA) where: Base-Base interactions energy: -1075.368 where: short stacking energy: -439.074 Base-Backbone interact. energy: -1.127 local terms energy: -479.310834 where: bonds (distance) C4'-P energy: -97.081 bonds (distance) P-C4' energy: -89.113 flat angles C4'-P-C4' energy: -99.664 flat angles P-C4'-P energy: -68.127 tors. eta vs tors. theta energy: -125.327 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: 7 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1501.099601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.099601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.099601 (E_RNA) where: Base-Base interactions energy: -1022.901 where: short stacking energy: -435.687 Base-Backbone interact. energy: -3.198 local terms energy: -475.000851 where: bonds (distance) C4'-P energy: -93.205 bonds (distance) P-C4' energy: -82.354 flat angles C4'-P-C4' energy: -102.213 flat angles P-C4'-P energy: -63.606 tors. eta vs tors. theta energy: -133.623 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: 2 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1455.215959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.215959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.215959 (E_RNA) where: Base-Base interactions energy: -990.907 where: short stacking energy: -426.195 Base-Backbone interact. energy: -2.621 local terms energy: -461.688027 where: bonds (distance) C4'-P energy: -96.106 bonds (distance) P-C4' energy: -95.280 flat angles C4'-P-C4' energy: -90.070 flat angles P-C4'-P energy: -59.731 tors. eta vs tors. theta energy: -120.501 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: 4 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1148.471607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.471607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.471607 (E_RNA) where: Base-Base interactions energy: -734.109 where: short stacking energy: -315.706 Base-Backbone interact. energy: 3.557 local terms energy: -417.920501 where: bonds (distance) C4'-P energy: -73.252 bonds (distance) P-C4' energy: -102.700 flat angles C4'-P-C4' energy: -96.193 flat angles P-C4'-P energy: -63.777 tors. eta vs tors. theta energy: -81.998 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: 5 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1009.090739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.090739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.090739 (E_RNA) where: Base-Base interactions energy: -637.753 where: short stacking energy: -278.521 Base-Backbone interact. energy: -0.424 local terms energy: -370.912913 where: bonds (distance) C4'-P energy: -85.072 bonds (distance) P-C4' energy: -85.014 flat angles C4'-P-C4' energy: -93.931 flat angles P-C4'-P energy: -56.725 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: 8, replica: 9 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -842.488544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.488544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.488544 (E_RNA) where: Base-Base interactions energy: -491.293 where: short stacking energy: -217.794 Base-Backbone interact. energy: 2.287 local terms energy: -353.483128 where: bonds (distance) C4'-P energy: -89.329 bonds (distance) P-C4' energy: -91.122 flat angles C4'-P-C4' energy: -91.641 flat angles P-C4'-P energy: -48.636 tors. eta vs tors. theta energy: -32.756 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: 1 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -713.474880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.474880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.474880 (E_RNA) where: Base-Base interactions energy: -409.965 where: short stacking energy: -201.635 Base-Backbone interact. energy: -2.416 local terms energy: -301.093755 where: bonds (distance) C4'-P energy: -67.455 bonds (distance) P-C4' energy: -82.927 flat angles C4'-P-C4' energy: -75.201 flat angles P-C4'-P energy: -47.441 tors. eta vs tors. theta energy: -28.069 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: 3 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -512.608869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.608869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.608869 (E_RNA) where: Base-Base interactions energy: -242.809 where: short stacking energy: -137.966 Base-Backbone interact. energy: 2.398 local terms energy: -272.197752 where: bonds (distance) C4'-P energy: -75.396 bonds (distance) P-C4' energy: -73.230 flat angles C4'-P-C4' energy: -82.550 flat angles P-C4'-P energy: -43.621 tors. eta vs tors. theta energy: 2.598 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: 6 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1774.143921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.143921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.143921 (E_RNA) where: Base-Base interactions energy: -1218.549 where: short stacking energy: -536.930 Base-Backbone interact. energy: -4.098 local terms energy: -551.497459 where: bonds (distance) C4'-P energy: -98.212 bonds (distance) P-C4' energy: -98.790 flat angles C4'-P-C4' energy: -109.612 flat angles P-C4'-P energy: -83.977 tors. eta vs tors. theta energy: -160.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1660.331655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.331655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.331655 (E_RNA) where: Base-Base interactions energy: -1124.297 where: short stacking energy: -490.836 Base-Backbone interact. energy: -4.170 local terms energy: -531.864943 where: bonds (distance) C4'-P energy: -104.815 bonds (distance) P-C4' energy: -87.181 flat angles C4'-P-C4' energy: -116.827 flat angles P-C4'-P energy: -80.003 tors. eta vs tors. theta energy: -143.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1582.319468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.319468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.319468 (E_RNA) where: Base-Base interactions energy: -1093.158 where: short stacking energy: -442.879 Base-Backbone interact. energy: -2.201 local terms energy: -486.960191 where: bonds (distance) C4'-P energy: -84.872 bonds (distance) P-C4' energy: -93.121 flat angles C4'-P-C4' energy: -101.569 flat angles P-C4'-P energy: -73.369 tors. eta vs tors. theta energy: -134.029 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: 4, replica: 7 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1488.855631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.855631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.855631 (E_RNA) where: Base-Base interactions energy: -1018.877 where: short stacking energy: -446.036 Base-Backbone interact. energy: -2.575 local terms energy: -467.404012 where: bonds (distance) C4'-P energy: -84.251 bonds (distance) P-C4' energy: -96.716 flat angles C4'-P-C4' energy: -103.483 flat angles P-C4'-P energy: -61.206 tors. eta vs tors. theta energy: -121.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1488.504987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.504987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.504987 (E_RNA) where: Base-Base interactions energy: -1016.956 where: short stacking energy: -428.993 Base-Backbone interact. energy: -0.924 local terms energy: -470.625361 where: bonds (distance) C4'-P energy: -79.542 bonds (distance) P-C4' energy: -93.661 flat angles C4'-P-C4' energy: -100.755 flat angles P-C4'-P energy: -73.666 tors. eta vs tors. theta energy: -123.001 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: 4 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1138.526453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.526453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.526453 (E_RNA) where: Base-Base interactions energy: -747.521 where: short stacking energy: -334.322 Base-Backbone interact. energy: -1.848 local terms energy: -389.157664 where: bonds (distance) C4'-P energy: -87.317 bonds (distance) P-C4' energy: -85.598 flat angles C4'-P-C4' energy: -79.886 flat angles P-C4'-P energy: -49.899 tors. eta vs tors. theta energy: -86.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1042.514861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.514861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.514861 (E_RNA) where: Base-Base interactions energy: -687.922 where: short stacking energy: -315.939 Base-Backbone interact. energy: -2.961 local terms energy: -351.632136 where: bonds (distance) C4'-P energy: -85.505 bonds (distance) P-C4' energy: -70.086 flat angles C4'-P-C4' energy: -86.942 flat angles P-C4'-P energy: -52.101 tors. eta vs tors. theta energy: -56.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -863.763032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.763032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.763032 (E_RNA) where: Base-Base interactions energy: -531.015 where: short stacking energy: -223.148 Base-Backbone interact. energy: -1.668 local terms energy: -331.080625 where: bonds (distance) C4'-P energy: -66.400 bonds (distance) P-C4' energy: -83.387 flat angles C4'-P-C4' energy: -78.679 flat angles P-C4'-P energy: -54.815 tors. eta vs tors. theta energy: -47.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -731.344294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.344294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.344294 (E_RNA) where: Base-Base interactions energy: -425.927 where: short stacking energy: -217.955 Base-Backbone interact. energy: -2.389 local terms energy: -303.027869 where: bonds (distance) C4'-P energy: -73.100 bonds (distance) P-C4' energy: -84.389 flat angles C4'-P-C4' energy: -64.743 flat angles P-C4'-P energy: -48.452 tors. eta vs tors. theta energy: -32.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -478.637102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.637102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.637102 (E_RNA) where: Base-Base interactions energy: -230.383 where: short stacking energy: -150.527 Base-Backbone interact. energy: 2.069 local terms energy: -250.323011 where: bonds (distance) C4'-P energy: -78.575 bonds (distance) P-C4' energy: -89.645 flat angles C4'-P-C4' energy: -66.667 flat angles P-C4'-P energy: -26.204 tors. eta vs tors. theta energy: 10.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1761.834307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.834307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.834307 (E_RNA) where: Base-Base interactions energy: -1211.350 where: short stacking energy: -537.188 Base-Backbone interact. energy: -1.220 local terms energy: -549.264277 where: bonds (distance) C4'-P energy: -105.162 bonds (distance) P-C4' energy: -87.227 flat angles C4'-P-C4' energy: -117.229 flat angles P-C4'-P energy: -77.922 tors. eta vs tors. theta energy: -161.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1654.953053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.953053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.953053 (E_RNA) where: Base-Base interactions energy: -1159.571 where: short stacking energy: -503.613 Base-Backbone interact. energy: -0.493 local terms energy: -494.888892 where: bonds (distance) C4'-P energy: -85.510 bonds (distance) P-C4' energy: -113.179 flat angles C4'-P-C4' energy: -101.173 flat angles P-C4'-P energy: -63.592 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: 3, replica: 10 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1585.308000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.308000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.308000 (E_RNA) where: Base-Base interactions energy: -1087.887 where: short stacking energy: -460.734 Base-Backbone interact. energy: -3.318 local terms energy: -494.102677 where: bonds (distance) C4'-P energy: -96.110 bonds (distance) P-C4' energy: -94.533 flat angles C4'-P-C4' energy: -106.351 flat angles P-C4'-P energy: -71.427 tors. eta vs tors. theta energy: -125.682 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: 7 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1494.713768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.713768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.713768 (E_RNA) where: Base-Base interactions energy: -1048.632 where: short stacking energy: -427.906 Base-Backbone interact. energy: -1.676 local terms energy: -444.405705 where: bonds (distance) C4'-P energy: -82.392 bonds (distance) P-C4' energy: -86.471 flat angles C4'-P-C4' energy: -96.619 flat angles P-C4'-P energy: -61.194 tors. eta vs tors. theta energy: -117.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1519.725775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.725775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.725775 (E_RNA) where: Base-Base interactions energy: -1055.060 where: short stacking energy: -435.902 Base-Backbone interact. energy: -1.783 local terms energy: -462.882769 where: bonds (distance) C4'-P energy: -88.428 bonds (distance) P-C4' energy: -88.428 flat angles C4'-P-C4' energy: -94.634 flat angles P-C4'-P energy: -61.923 tors. eta vs tors. theta energy: -129.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1060.918675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.918675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.918675 (E_RNA) where: Base-Base interactions energy: -699.141 where: short stacking energy: -299.057 Base-Backbone interact. energy: 0.064 local terms energy: -361.841665 where: bonds (distance) C4'-P energy: -71.913 bonds (distance) P-C4' energy: -76.784 flat angles C4'-P-C4' energy: -86.697 flat angles P-C4'-P energy: -63.250 tors. eta vs tors. theta energy: -63.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1034.561005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.561005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.561005 (E_RNA) where: Base-Base interactions energy: -672.084 where: short stacking energy: -284.103 Base-Backbone interact. energy: -2.073 local terms energy: -360.404157 where: bonds (distance) C4'-P energy: -77.057 bonds (distance) P-C4' energy: -75.680 flat angles C4'-P-C4' energy: -82.041 flat angles P-C4'-P energy: -65.255 tors. eta vs tors. theta energy: -60.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -831.648487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.648487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.648487 (E_RNA) where: Base-Base interactions energy: -492.069 where: short stacking energy: -236.839 Base-Backbone interact. energy: 0.531 local terms energy: -340.110585 where: bonds (distance) C4'-P energy: -68.252 bonds (distance) P-C4' energy: -87.890 flat angles C4'-P-C4' energy: -82.409 flat angles P-C4'-P energy: -66.278 tors. eta vs tors. theta energy: -35.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -731.138459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.138459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.138459 (E_RNA) where: Base-Base interactions energy: -411.136 where: short stacking energy: -226.434 Base-Backbone interact. energy: -1.319 local terms energy: -318.683374 where: bonds (distance) C4'-P energy: -71.049 bonds (distance) P-C4' energy: -86.687 flat angles C4'-P-C4' energy: -70.132 flat angles P-C4'-P energy: -44.205 tors. eta vs tors. theta energy: -46.611 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: 3 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -517.348715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.348715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.348715 (E_RNA) where: Base-Base interactions energy: -252.855 where: short stacking energy: -161.644 Base-Backbone interact. energy: 0.984 local terms energy: -265.478098 where: bonds (distance) C4'-P energy: -66.583 bonds (distance) P-C4' energy: -97.550 flat angles C4'-P-C4' energy: -64.228 flat angles P-C4'-P energy: -30.186 tors. eta vs tors. theta energy: -6.930 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: 1, replica: 6 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1756.253367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.253367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.253367 (E_RNA) where: Base-Base interactions energy: -1218.974 where: short stacking energy: -543.733 Base-Backbone interact. energy: -1.434 local terms energy: -535.845901 where: bonds (distance) C4'-P energy: -84.856 bonds (distance) P-C4' energy: -89.434 flat angles C4'-P-C4' energy: -114.553 flat angles P-C4'-P energy: -80.226 tors. eta vs tors. theta energy: -166.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1651.408866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.408866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.408866 (E_RNA) where: Base-Base interactions energy: -1147.518 where: short stacking energy: -496.122 Base-Backbone interact. energy: 0.243 local terms energy: -504.134375 where: bonds (distance) C4'-P energy: -98.041 bonds (distance) P-C4' energy: -89.468 flat angles C4'-P-C4' energy: -104.908 flat angles P-C4'-P energy: -74.163 tors. eta vs tors. theta energy: -137.554 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: 10 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1561.857852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.857852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.857852 (E_RNA) where: Base-Base interactions energy: -1085.783 where: short stacking energy: -454.511 Base-Backbone interact. energy: -1.897 local terms energy: -474.177273 where: bonds (distance) C4'-P energy: -93.454 bonds (distance) P-C4' energy: -98.956 flat angles C4'-P-C4' energy: -94.221 flat angles P-C4'-P energy: -64.335 tors. eta vs tors. theta energy: -123.211 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: 4, replica: 7 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1528.306216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.306216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.306216 (E_RNA) where: Base-Base interactions energy: -1056.815 where: short stacking energy: -449.489 Base-Backbone interact. energy: 4.760 local terms energy: -476.250880 where: bonds (distance) C4'-P energy: -83.207 bonds (distance) P-C4' energy: -94.427 flat angles C4'-P-C4' energy: -97.480 flat angles P-C4'-P energy: -66.794 tors. eta vs tors. theta energy: -134.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -1483.308718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.308718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.308718 (E_RNA) where: Base-Base interactions energy: -1026.897 where: short stacking energy: -429.504 Base-Backbone interact. energy: -0.313 local terms energy: -456.098632 where: bonds (distance) C4'-P energy: -88.056 bonds (distance) P-C4' energy: -84.499 flat angles C4'-P-C4' energy: -93.705 flat angles P-C4'-P energy: -61.187 tors. eta vs tors. theta energy: -128.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1054.521863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.521863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.521863 (E_RNA) where: Base-Base interactions energy: -671.889 where: short stacking energy: -331.085 Base-Backbone interact. energy: 0.192 local terms energy: -382.824344 where: bonds (distance) C4'-P energy: -72.430 bonds (distance) P-C4' energy: -75.102 flat angles C4'-P-C4' energy: -108.367 flat angles P-C4'-P energy: -52.914 tors. eta vs tors. theta energy: -74.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -885.757994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.757994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.757994 (E_RNA) where: Base-Base interactions energy: -562.900 where: short stacking energy: -262.633 Base-Backbone interact. energy: -0.962 local terms energy: -321.896593 where: bonds (distance) C4'-P energy: -63.114 bonds (distance) P-C4' energy: -85.459 flat angles C4'-P-C4' energy: -86.562 flat angles P-C4'-P energy: -53.547 tors. eta vs tors. theta energy: -33.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -997.247731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.247731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.247731 (E_RNA) where: Base-Base interactions energy: -641.684 where: short stacking energy: -273.714 Base-Backbone interact. energy: -1.032 local terms energy: -354.530922 where: bonds (distance) C4'-P energy: -80.374 bonds (distance) P-C4' energy: -88.717 flat angles C4'-P-C4' energy: -85.548 flat angles P-C4'-P energy: -46.609 tors. eta vs tors. theta energy: -53.283 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: 1 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -713.982236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.982236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.982236 (E_RNA) where: Base-Base interactions energy: -397.640 where: short stacking energy: -205.448 Base-Backbone interact. energy: 9.353 local terms energy: -325.694763 where: bonds (distance) C4'-P energy: -86.197 bonds (distance) P-C4' energy: -93.658 flat angles C4'-P-C4' energy: -81.283 flat angles P-C4'-P energy: -46.462 tors. eta vs tors. theta energy: -18.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -467.772628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.772628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.772628 (E_RNA) where: Base-Base interactions energy: -206.885 where: short stacking energy: -148.587 Base-Backbone interact. energy: 1.230 local terms energy: -262.117989 where: bonds (distance) C4'-P energy: -72.795 bonds (distance) P-C4' energy: -83.197 flat angles C4'-P-C4' energy: -82.699 flat angles P-C4'-P energy: -33.113 tors. eta vs tors. theta energy: 9.686 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: 6 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1749.982821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.982821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.982821 (E_RNA) where: Base-Base interactions energy: -1201.519 where: short stacking energy: -547.952 Base-Backbone interact. energy: -1.514 local terms energy: -546.950064 where: bonds (distance) C4'-P energy: -80.614 bonds (distance) P-C4' energy: -101.740 flat angles C4'-P-C4' energy: -115.497 flat angles P-C4'-P energy: -81.560 tors. eta vs tors. theta energy: -167.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1653.221278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.221278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.221278 (E_RNA) where: Base-Base interactions energy: -1150.197 where: short stacking energy: -495.856 Base-Backbone interact. energy: 3.489 local terms energy: -506.512762 where: bonds (distance) C4'-P energy: -91.124 bonds (distance) P-C4' energy: -90.899 flat angles C4'-P-C4' energy: -114.200 flat angles P-C4'-P energy: -75.488 tors. eta vs tors. theta energy: -134.803 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: 381 Temperature: 1.000000 Total energy: -1588.198292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.198292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.198292 (E_RNA) where: Base-Base interactions energy: -1092.809 where: short stacking energy: -457.840 Base-Backbone interact. energy: -0.832 local terms energy: -494.557242 where: bonds (distance) C4'-P energy: -88.970 bonds (distance) P-C4' energy: -96.070 flat angles C4'-P-C4' energy: -108.611 flat angles P-C4'-P energy: -69.157 tors. eta vs tors. theta energy: -131.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1515.140183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.140183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.140183 (E_RNA) where: Base-Base interactions energy: -1056.161 where: short stacking energy: -437.541 Base-Backbone interact. energy: 0.510 local terms energy: -459.489625 where: bonds (distance) C4'-P energy: -94.370 bonds (distance) P-C4' energy: -79.184 flat angles C4'-P-C4' energy: -99.364 flat angles P-C4'-P energy: -65.799 tors. eta vs tors. theta energy: -120.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -1519.442319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.442319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.442319 (E_RNA) where: Base-Base interactions energy: -1072.149 where: short stacking energy: -462.597 Base-Backbone interact. energy: -1.625 local terms energy: -445.668334 where: bonds (distance) C4'-P energy: -82.933 bonds (distance) P-C4' energy: -83.741 flat angles C4'-P-C4' energy: -86.180 flat angles P-C4'-P energy: -56.609 tors. eta vs tors. theta energy: -136.205 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: 6, replica: 4 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1087.048961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.048961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.048961 (E_RNA) where: Base-Base interactions energy: -715.103 where: short stacking energy: -318.129 Base-Backbone interact. energy: -3.802 local terms energy: -368.143630 where: bonds (distance) C4'-P energy: -84.108 bonds (distance) P-C4' energy: -83.813 flat angles C4'-P-C4' energy: -80.706 flat angles P-C4'-P energy: -55.520 tors. eta vs tors. theta energy: -63.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -966.677606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.677606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.677606 (E_RNA) where: Base-Base interactions energy: -607.354 where: short stacking energy: -269.079 Base-Backbone interact. energy: -0.779 local terms energy: -358.544748 where: bonds (distance) C4'-P energy: -77.307 bonds (distance) P-C4' energy: -93.024 flat angles C4'-P-C4' energy: -86.723 flat angles P-C4'-P energy: -57.291 tors. eta vs tors. theta energy: -44.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -973.188688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.188688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.188688 (E_RNA) where: Base-Base interactions energy: -620.303 where: short stacking energy: -270.094 Base-Backbone interact. energy: -4.213 local terms energy: -348.672392 where: bonds (distance) C4'-P energy: -82.675 bonds (distance) P-C4' energy: -77.611 flat angles C4'-P-C4' energy: -78.411 flat angles P-C4'-P energy: -56.802 tors. eta vs tors. theta energy: -53.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -758.842159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.842159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.842159 (E_RNA) where: Base-Base interactions energy: -446.463 where: short stacking energy: -224.112 Base-Backbone interact. energy: 2.119 local terms energy: -314.497860 where: bonds (distance) C4'-P energy: -74.631 bonds (distance) P-C4' energy: -80.861 flat angles C4'-P-C4' energy: -72.031 flat angles P-C4'-P energy: -54.775 tors. eta vs tors. theta energy: -32.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -491.691531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.691531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.691531 (E_RNA) where: Base-Base interactions energy: -226.903 where: short stacking energy: -148.419 Base-Backbone interact. energy: -2.189 local terms energy: -262.599742 where: bonds (distance) C4'-P energy: -63.151 bonds (distance) P-C4' energy: -93.171 flat angles C4'-P-C4' energy: -56.825 flat angles P-C4'-P energy: -31.335 tors. eta vs tors. theta energy: -18.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1754.698926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.698926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.698926 (E_RNA) where: Base-Base interactions energy: -1204.367 where: short stacking energy: -539.709 Base-Backbone interact. energy: -1.649 local terms energy: -548.682789 where: bonds (distance) C4'-P energy: -101.470 bonds (distance) P-C4' energy: -89.675 flat angles C4'-P-C4' energy: -115.963 flat angles P-C4'-P energy: -74.703 tors. eta vs tors. theta energy: -166.871 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: 8 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1661.836007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.836007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.836007 (E_RNA) where: Base-Base interactions energy: -1158.163 where: short stacking energy: -496.637 Base-Backbone interact. energy: -2.642 local terms energy: -501.031066 where: bonds (distance) C4'-P energy: -90.491 bonds (distance) P-C4' energy: -89.873 flat angles C4'-P-C4' energy: -111.299 flat angles P-C4'-P energy: -65.368 tors. eta vs tors. theta energy: -144.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1606.834254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.834254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.834254 (E_RNA) where: Base-Base interactions energy: -1129.080 where: short stacking energy: -467.251 Base-Backbone interact. energy: 1.180 local terms energy: -478.934528 where: bonds (distance) C4'-P energy: -91.397 bonds (distance) P-C4' energy: -87.305 flat angles C4'-P-C4' energy: -99.836 flat angles P-C4'-P energy: -66.115 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: 4, replica: 2 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1542.390851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.390851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.390851 (E_RNA) where: Base-Base interactions energy: -1088.208 where: short stacking energy: -453.276 Base-Backbone interact. energy: -2.265 local terms energy: -451.917937 where: bonds (distance) C4'-P energy: -71.908 bonds (distance) P-C4' energy: -86.622 flat angles C4'-P-C4' energy: -99.861 flat angles P-C4'-P energy: -65.622 tors. eta vs tors. theta energy: -127.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1439.217018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.217018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.217018 (E_RNA) where: Base-Base interactions energy: -995.711 where: short stacking energy: -433.052 Base-Backbone interact. energy: -2.288 local terms energy: -441.218440 where: bonds (distance) C4'-P energy: -63.284 bonds (distance) P-C4' energy: -93.747 flat angles C4'-P-C4' energy: -101.634 flat angles P-C4'-P energy: -62.318 tors. eta vs tors. theta energy: -120.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1113.585055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.585055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.585055 (E_RNA) where: Base-Base interactions energy: -718.774 where: short stacking energy: -314.626 Base-Backbone interact. energy: -2.533 local terms energy: -392.278509 where: bonds (distance) C4'-P energy: -89.996 bonds (distance) P-C4' energy: -81.023 flat angles C4'-P-C4' energy: -83.543 flat angles P-C4'-P energy: -67.547 tors. eta vs tors. theta energy: -70.170 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: 9 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1015.262730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.262730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.262730 (E_RNA) where: Base-Base interactions energy: -673.056 where: short stacking energy: -320.840 Base-Backbone interact. energy: 1.767 local terms energy: -343.974032 where: bonds (distance) C4'-P energy: -61.948 bonds (distance) P-C4' energy: -74.583 flat angles C4'-P-C4' energy: -78.674 flat angles P-C4'-P energy: -47.953 tors. eta vs tors. theta energy: -80.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -918.207612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.207612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.207612 (E_RNA) where: Base-Base interactions energy: -585.481 where: short stacking energy: -264.365 Base-Backbone interact. energy: -1.841 local terms energy: -330.884957 where: bonds (distance) C4'-P energy: -78.679 bonds (distance) P-C4' energy: -86.197 flat angles C4'-P-C4' energy: -72.291 flat angles P-C4'-P energy: -50.041 tors. eta vs tors. theta energy: -43.677 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: 1 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -790.275590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.275590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.275590 (E_RNA) where: Base-Base interactions energy: -485.425 where: short stacking energy: -209.544 Base-Backbone interact. energy: -2.777 local terms energy: -302.073401 where: bonds (distance) C4'-P energy: -77.154 bonds (distance) P-C4' energy: -69.941 flat angles C4'-P-C4' energy: -68.912 flat angles P-C4'-P energy: -54.275 tors. eta vs tors. theta energy: -31.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -514.871318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.871318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.871318 (E_RNA) where: Base-Base interactions energy: -265.505 where: short stacking energy: -157.488 Base-Backbone interact. energy: -1.324 local terms energy: -248.042960 where: bonds (distance) C4'-P energy: -75.945 bonds (distance) P-C4' energy: -59.388 flat angles C4'-P-C4' energy: -75.350 flat angles P-C4'-P energy: -35.568 tors. eta vs tors. theta energy: -1.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1741.313230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.313230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.313230 (E_RNA) where: Base-Base interactions energy: -1201.933 where: short stacking energy: -539.042 Base-Backbone interact. energy: -1.760 local terms energy: -537.619756 where: bonds (distance) C4'-P energy: -97.761 bonds (distance) P-C4' energy: -95.093 flat angles C4'-P-C4' energy: -101.320 flat angles P-C4'-P energy: -81.418 tors. eta vs tors. theta energy: -162.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1649.866567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.866567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.866567 (E_RNA) where: Base-Base interactions energy: -1150.187 where: short stacking energy: -489.283 Base-Backbone interact. energy: -2.319 local terms energy: -497.360942 where: bonds (distance) C4'-P energy: -80.323 bonds (distance) P-C4' energy: -96.863 flat angles C4'-P-C4' energy: -104.174 flat angles P-C4'-P energy: -68.848 tors. eta vs tors. theta energy: -147.153 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: 10 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1563.085694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.085694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.085694 (E_RNA) where: Base-Base interactions energy: -1072.553 where: short stacking energy: -451.082 Base-Backbone interact. energy: -1.633 local terms energy: -488.899407 where: bonds (distance) C4'-P energy: -94.726 bonds (distance) P-C4' energy: -95.295 flat angles C4'-P-C4' energy: -111.999 flat angles P-C4'-P energy: -65.060 tors. eta vs tors. theta energy: -121.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1550.502947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.502947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.502947 (E_RNA) where: Base-Base interactions energy: -1067.182 where: short stacking energy: -457.142 Base-Backbone interact. energy: 2.904 local terms energy: -486.224647 where: bonds (distance) C4'-P energy: -97.134 bonds (distance) P-C4' energy: -91.583 flat angles C4'-P-C4' energy: -102.582 flat angles P-C4'-P energy: -63.744 tors. eta vs tors. theta energy: -131.182 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: 7 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -1460.309170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.309170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.309170 (E_RNA) where: Base-Base interactions energy: -979.371 where: short stacking energy: -445.917 Base-Backbone interact. energy: -2.816 local terms energy: -478.122562 where: bonds (distance) C4'-P energy: -82.565 bonds (distance) P-C4' energy: -95.337 flat angles C4'-P-C4' energy: -102.497 flat angles P-C4'-P energy: -70.019 tors. eta vs tors. theta energy: -127.705 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: 6, replica: 4 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1085.489261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.489261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.489261 (E_RNA) where: Base-Base interactions energy: -681.335 where: short stacking energy: -332.520 Base-Backbone interact. energy: -1.509 local terms energy: -402.645386 where: bonds (distance) C4'-P energy: -84.009 bonds (distance) P-C4' energy: -81.603 flat angles C4'-P-C4' energy: -84.026 flat angles P-C4'-P energy: -78.823 tors. eta vs tors. theta energy: -74.185 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: 9 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -986.495151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.495151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.495151 (E_RNA) where: Base-Base interactions energy: -628.314 where: short stacking energy: -294.433 Base-Backbone interact. energy: 1.137 local terms energy: -359.317754 where: bonds (distance) C4'-P energy: -70.134 bonds (distance) P-C4' energy: -87.938 flat angles C4'-P-C4' energy: -85.968 flat angles P-C4'-P energy: -62.336 tors. eta vs tors. theta energy: -52.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -927.424392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.424392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.424392 (E_RNA) where: Base-Base interactions energy: -587.759 where: short stacking energy: -267.566 Base-Backbone interact. energy: -0.032 local terms energy: -339.633266 where: bonds (distance) C4'-P energy: -79.648 bonds (distance) P-C4' energy: -71.432 flat angles C4'-P-C4' energy: -89.192 flat angles P-C4'-P energy: -57.940 tors. eta vs tors. theta energy: -41.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -811.000684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.000684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.000684 (E_RNA) where: Base-Base interactions energy: -473.390 where: short stacking energy: -217.855 Base-Backbone interact. energy: 4.005 local terms energy: -341.616307 where: bonds (distance) C4'-P energy: -81.935 bonds (distance) P-C4' energy: -89.553 flat angles C4'-P-C4' energy: -81.545 flat angles P-C4'-P energy: -45.535 tors. eta vs tors. theta energy: -43.048 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: 10, replica: 3 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -493.424958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.424958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.424958 (E_RNA) where: Base-Base interactions energy: -230.025 where: short stacking energy: -119.954 Base-Backbone interact. energy: -0.811 local terms energy: -262.589084 where: bonds (distance) C4'-P energy: -62.711 bonds (distance) P-C4' energy: -75.624 flat angles C4'-P-C4' energy: -88.597 flat angles P-C4'-P energy: -44.243 tors. eta vs tors. theta energy: 8.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1729.775462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.775462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.775462 (E_RNA) where: Base-Base interactions energy: -1196.489 where: short stacking energy: -534.885 Base-Backbone interact. energy: -1.970 local terms energy: -531.316958 where: bonds (distance) C4'-P energy: -88.246 bonds (distance) P-C4' energy: -99.505 flat angles C4'-P-C4' energy: -107.846 flat angles P-C4'-P energy: -72.342 tors. eta vs tors. theta energy: -163.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1644.188927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.188927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.188927 (E_RNA) where: Base-Base interactions energy: -1139.831 where: short stacking energy: -484.912 Base-Backbone interact. energy: -1.872 local terms energy: -502.486040 where: bonds (distance) C4'-P energy: -88.569 bonds (distance) P-C4' energy: -87.364 flat angles C4'-P-C4' energy: -108.842 flat angles P-C4'-P energy: -80.646 tors. eta vs tors. theta energy: -137.064 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: 3, replica: 2 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1602.108628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.108628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.108628 (E_RNA) where: Base-Base interactions energy: -1111.675 where: short stacking energy: -459.238 Base-Backbone interact. energy: -2.957 local terms energy: -487.476619 where: bonds (distance) C4'-P energy: -95.998 bonds (distance) P-C4' energy: -92.540 flat angles C4'-P-C4' energy: -103.940 flat angles P-C4'-P energy: -63.425 tors. eta vs tors. theta energy: -131.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1548.834006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.834006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.834006 (E_RNA) where: Base-Base interactions energy: -1073.704 where: short stacking energy: -451.654 Base-Backbone interact. energy: 4.442 local terms energy: -479.572175 where: bonds (distance) C4'-P energy: -89.254 bonds (distance) P-C4' energy: -88.751 flat angles C4'-P-C4' energy: -102.066 flat angles P-C4'-P energy: -65.749 tors. eta vs tors. theta energy: -133.751 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: 7 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -1492.003293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.003293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.003293 (E_RNA) where: Base-Base interactions energy: -1030.656 where: short stacking energy: -459.773 Base-Backbone interact. energy: -0.966 local terms energy: -460.381565 where: bonds (distance) C4'-P energy: -67.046 bonds (distance) P-C4' energy: -89.088 flat angles C4'-P-C4' energy: -99.179 flat angles P-C4'-P energy: -73.594 tors. eta vs tors. theta energy: -131.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1106.832019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.832019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.832019 (E_RNA) where: Base-Base interactions energy: -702.335 where: short stacking energy: -313.224 Base-Backbone interact. energy: 0.722 local terms energy: -405.218746 where: bonds (distance) C4'-P energy: -86.001 bonds (distance) P-C4' energy: -87.333 flat angles C4'-P-C4' energy: -89.634 flat angles P-C4'-P energy: -67.539 tors. eta vs tors. theta energy: -74.712 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: 7, replica: 9 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1049.497004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.497004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.497004 (E_RNA) where: Base-Base interactions energy: -675.888 where: short stacking energy: -276.952 Base-Backbone interact. energy: -0.484 local terms energy: -373.124636 where: bonds (distance) C4'-P energy: -82.888 bonds (distance) P-C4' energy: -82.630 flat angles C4'-P-C4' energy: -89.943 flat angles P-C4'-P energy: -54.081 tors. eta vs tors. theta energy: -63.582 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: 5 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -921.605509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.605509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.605509 (E_RNA) where: Base-Base interactions energy: -569.568 where: short stacking energy: -256.707 Base-Backbone interact. energy: 2.259 local terms energy: -354.296316 where: bonds (distance) C4'-P energy: -77.286 bonds (distance) P-C4' energy: -75.106 flat angles C4'-P-C4' energy: -76.936 flat angles P-C4'-P energy: -51.088 tors. eta vs tors. theta energy: -73.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -754.391007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.391007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.391007 (E_RNA) where: Base-Base interactions energy: -461.771 where: short stacking energy: -213.119 Base-Backbone interact. energy: 3.458 local terms energy: -296.077220 where: bonds (distance) C4'-P energy: -71.455 bonds (distance) P-C4' energy: -80.027 flat angles C4'-P-C4' energy: -85.563 flat angles P-C4'-P energy: -35.622 tors. eta vs tors. theta energy: -23.410 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: 3 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -503.008582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.008582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.008582 (E_RNA) where: Base-Base interactions energy: -220.802 where: short stacking energy: -149.481 Base-Backbone interact. energy: -1.582 local terms energy: -280.624197 where: bonds (distance) C4'-P energy: -78.903 bonds (distance) P-C4' energy: -89.165 flat angles C4'-P-C4' energy: -70.970 flat angles P-C4'-P energy: -49.588 tors. eta vs tors. theta energy: 8.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1737.050295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.050295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.050295 (E_RNA) where: Base-Base interactions energy: -1188.864 where: short stacking energy: -538.744 Base-Backbone interact. energy: -0.318 local terms energy: -547.868729 where: bonds (distance) C4'-P energy: -78.412 bonds (distance) P-C4' energy: -102.570 flat angles C4'-P-C4' energy: -119.172 flat angles P-C4'-P energy: -80.727 tors. eta vs tors. theta energy: -166.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1648.837078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.837078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.837078 (E_RNA) where: Base-Base interactions energy: -1151.166 where: short stacking energy: -491.532 Base-Backbone interact. energy: -6.017 local terms energy: -491.654901 where: bonds (distance) C4'-P energy: -95.056 bonds (distance) P-C4' energy: -94.161 flat angles C4'-P-C4' energy: -95.908 flat angles P-C4'-P energy: -67.494 tors. eta vs tors. theta energy: -139.036 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: 2 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1612.366318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.366318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.366318 (E_RNA) where: Base-Base interactions energy: -1106.251 where: short stacking energy: -470.789 Base-Backbone interact. energy: 6.565 local terms energy: -512.681209 where: bonds (distance) C4'-P energy: -94.334 bonds (distance) P-C4' energy: -98.924 flat angles C4'-P-C4' energy: -106.140 flat angles P-C4'-P energy: -68.922 tors. eta vs tors. theta energy: -144.361 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: 4, replica: 7 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1509.796218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.796218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.796218 (E_RNA) where: Base-Base interactions energy: -1022.522 where: short stacking energy: -458.556 Base-Backbone interact. energy: -2.802 local terms energy: -484.472341 where: bonds (distance) C4'-P energy: -83.302 bonds (distance) P-C4' energy: -91.864 flat angles C4'-P-C4' energy: -99.054 flat angles P-C4'-P energy: -70.018 tors. eta vs tors. theta energy: -140.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -1446.111195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.111195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.111195 (E_RNA) where: Base-Base interactions energy: -1041.213 where: short stacking energy: -416.096 Base-Backbone interact. energy: -2.409 local terms energy: -402.490144 where: bonds (distance) C4'-P energy: -68.196 bonds (distance) P-C4' energy: -70.621 flat angles C4'-P-C4' energy: -95.061 flat angles P-C4'-P energy: -58.493 tors. eta vs tors. theta energy: -110.119 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: 4 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1087.524338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.524338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.524338 (E_RNA) where: Base-Base interactions energy: -706.937 where: short stacking energy: -327.308 Base-Backbone interact. energy: 2.282 local terms energy: -382.869369 where: bonds (distance) C4'-P energy: -78.424 bonds (distance) P-C4' energy: -84.551 flat angles C4'-P-C4' energy: -90.210 flat angles P-C4'-P energy: -53.909 tors. eta vs tors. theta energy: -75.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1066.276914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.276914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.276914 (E_RNA) where: Base-Base interactions energy: -715.714 where: short stacking energy: -298.770 Base-Backbone interact. energy: 2.282 local terms energy: -352.844793 where: bonds (distance) C4'-P energy: -79.085 bonds (distance) P-C4' energy: -93.134 flat angles C4'-P-C4' energy: -74.102 flat angles P-C4'-P energy: -54.324 tors. eta vs tors. theta energy: -52.200 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: 8, replica: 5 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -957.718434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.718434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.718434 (E_RNA) where: Base-Base interactions energy: -587.823 where: short stacking energy: -284.074 Base-Backbone interact. energy: 0.135 local terms energy: -370.030213 where: bonds (distance) C4'-P energy: -80.302 bonds (distance) P-C4' energy: -86.564 flat angles C4'-P-C4' energy: -97.492 flat angles P-C4'-P energy: -49.646 tors. eta vs tors. theta energy: -56.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -775.293125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.293125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.293125 (E_RNA) where: Base-Base interactions energy: -478.846 where: short stacking energy: -219.502 Base-Backbone interact. energy: 1.582 local terms energy: -298.028863 where: bonds (distance) C4'-P energy: -61.391 bonds (distance) P-C4' energy: -76.754 flat angles C4'-P-C4' energy: -81.355 flat angles P-C4'-P energy: -60.960 tors. eta vs tors. theta energy: -17.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -495.762177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.762177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.762177 (E_RNA) where: Base-Base interactions energy: -246.720 where: short stacking energy: -154.732 Base-Backbone interact. energy: -1.511 local terms energy: -247.531359 where: bonds (distance) C4'-P energy: -79.192 bonds (distance) P-C4' energy: -62.123 flat angles C4'-P-C4' energy: -77.270 flat angles P-C4'-P energy: -32.511 tors. eta vs tors. theta energy: 3.565 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: 6 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1734.597815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.597815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.597815 (E_RNA) where: Base-Base interactions energy: -1187.419 where: short stacking energy: -532.241 Base-Backbone interact. energy: -2.169 local terms energy: -545.008985 where: bonds (distance) C4'-P energy: -93.274 bonds (distance) P-C4' energy: -105.399 flat angles C4'-P-C4' energy: -109.117 flat angles P-C4'-P energy: -79.507 tors. eta vs tors. theta energy: -157.711 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: 8 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1664.858220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.858220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.858220 (E_RNA) where: Base-Base interactions energy: -1171.283 where: short stacking energy: -509.140 Base-Backbone interact. energy: -0.716 local terms energy: -492.859525 where: bonds (distance) C4'-P energy: -95.174 bonds (distance) P-C4' energy: -95.283 flat angles C4'-P-C4' energy: -92.977 flat angles P-C4'-P energy: -67.819 tors. eta vs tors. theta energy: -141.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1614.922335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.922335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.922335 (E_RNA) where: Base-Base interactions energy: -1117.983 where: short stacking energy: -472.078 Base-Backbone interact. energy: -1.923 local terms energy: -495.016116 where: bonds (distance) C4'-P energy: -93.918 bonds (distance) P-C4' energy: -80.284 flat angles C4'-P-C4' energy: -108.476 flat angles P-C4'-P energy: -76.711 tors. eta vs tors. theta energy: -135.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1495.801646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.801646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.801646 (E_RNA) where: Base-Base interactions energy: -1014.914 where: short stacking energy: -442.049 Base-Backbone interact. energy: -0.923 local terms energy: -479.964393 where: bonds (distance) C4'-P energy: -88.035 bonds (distance) P-C4' energy: -79.118 flat angles C4'-P-C4' energy: -107.028 flat angles P-C4'-P energy: -73.699 tors. eta vs tors. theta energy: -132.085 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: 5, replica: 10 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -1433.054440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.054440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.054440 (E_RNA) where: Base-Base interactions energy: -972.458 where: short stacking energy: -397.271 Base-Backbone interact. energy: -1.851 local terms energy: -458.745403 where: bonds (distance) C4'-P energy: -90.456 bonds (distance) P-C4' energy: -92.745 flat angles C4'-P-C4' energy: -102.496 flat angles P-C4'-P energy: -67.493 tors. eta vs tors. theta energy: -105.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1123.794234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.794234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.794234 (E_RNA) where: Base-Base interactions energy: -723.303 where: short stacking energy: -338.466 Base-Backbone interact. energy: -1.685 local terms energy: -398.806318 where: bonds (distance) C4'-P energy: -89.104 bonds (distance) P-C4' energy: -83.391 flat angles C4'-P-C4' energy: -98.896 flat angles P-C4'-P energy: -47.615 tors. eta vs tors. theta energy: -79.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1033.144502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.144502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.144502 (E_RNA) where: Base-Base interactions energy: -680.628 where: short stacking energy: -271.367 Base-Backbone interact. energy: 4.703 local terms energy: -357.219076 where: bonds (distance) C4'-P energy: -78.917 bonds (distance) P-C4' energy: -75.433 flat angles C4'-P-C4' energy: -84.839 flat angles P-C4'-P energy: -64.084 tors. eta vs tors. theta energy: -53.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -951.200455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.200455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.200455 (E_RNA) where: Base-Base interactions energy: -606.511 where: short stacking energy: -263.126 Base-Backbone interact. energy: -1.318 local terms energy: -343.372092 where: bonds (distance) C4'-P energy: -77.439 bonds (distance) P-C4' energy: -84.537 flat angles C4'-P-C4' energy: -72.789 flat angles P-C4'-P energy: -45.906 tors. eta vs tors. theta energy: -62.700 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: 1 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -742.990771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.990771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.990771 (E_RNA) where: Base-Base interactions energy: -437.173 where: short stacking energy: -224.051 Base-Backbone interact. energy: -0.496 local terms energy: -305.321140 where: bonds (distance) C4'-P energy: -69.743 bonds (distance) P-C4' energy: -82.821 flat angles C4'-P-C4' energy: -69.337 flat angles P-C4'-P energy: -54.261 tors. eta vs tors. theta energy: -29.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -482.753470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.753470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.753470 (E_RNA) where: Base-Base interactions energy: -227.258 where: short stacking energy: -152.901 Base-Backbone interact. energy: 6.425 local terms energy: -261.920898 where: bonds (distance) C4'-P energy: -75.848 bonds (distance) P-C4' energy: -86.866 flat angles C4'-P-C4' energy: -70.633 flat angles P-C4'-P energy: -36.018 tors. eta vs tors. theta energy: 7.443 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: 1, replica: 6 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1740.851123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.851123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.851123 (E_RNA) where: Base-Base interactions energy: -1202.399 where: short stacking energy: -528.636 Base-Backbone interact. energy: -2.726 local terms energy: -535.726274 where: bonds (distance) C4'-P energy: -92.573 bonds (distance) P-C4' energy: -98.614 flat angles C4'-P-C4' energy: -117.364 flat angles P-C4'-P energy: -62.246 tors. eta vs tors. theta energy: -164.929 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: 2 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1658.905454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.905454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.905454 (E_RNA) where: Base-Base interactions energy: -1148.282 where: short stacking energy: -508.440 Base-Backbone interact. energy: -0.485 local terms energy: -510.137924 where: bonds (distance) C4'-P energy: -99.317 bonds (distance) P-C4' energy: -92.440 flat angles C4'-P-C4' energy: -112.105 flat angles P-C4'-P energy: -65.038 tors. eta vs tors. theta energy: -141.238 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: 8 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1639.279899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.279899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.279899 (E_RNA) where: Base-Base interactions energy: -1159.617 where: short stacking energy: -494.272 Base-Backbone interact. energy: -0.035 local terms energy: -479.627528 where: bonds (distance) C4'-P energy: -96.965 bonds (distance) P-C4' energy: -80.787 flat angles C4'-P-C4' energy: -98.350 flat angles P-C4'-P energy: -61.136 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: 4, replica: 7 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -1512.333251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.333251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.333251 (E_RNA) where: Base-Base interactions energy: -1053.609 where: short stacking energy: -457.035 Base-Backbone interact. energy: -1.823 local terms energy: -456.900492 where: bonds (distance) C4'-P energy: -82.849 bonds (distance) P-C4' energy: -82.602 flat angles C4'-P-C4' energy: -98.107 flat angles P-C4'-P energy: -60.814 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: 5, replica: 10 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -1412.072965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.072965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.072965 (E_RNA) where: Base-Base interactions energy: -960.377 where: short stacking energy: -407.351 Base-Backbone interact. energy: -1.811 local terms energy: -449.885351 where: bonds (distance) C4'-P energy: -88.457 bonds (distance) P-C4' energy: -85.633 flat angles C4'-P-C4' energy: -96.162 flat angles P-C4'-P energy: -58.776 tors. eta vs tors. theta energy: -120.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1195.839863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.839863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.839863 (E_RNA) where: Base-Base interactions energy: -802.636 where: short stacking energy: -337.897 Base-Backbone interact. energy: -1.306 local terms energy: -391.897214 where: bonds (distance) C4'-P energy: -81.470 bonds (distance) P-C4' energy: -86.522 flat angles C4'-P-C4' energy: -99.282 flat angles P-C4'-P energy: -47.467 tors. eta vs tors. theta energy: -77.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1006.018005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.018005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.018005 (E_RNA) where: Base-Base interactions energy: -635.670 where: short stacking energy: -299.066 Base-Backbone interact. energy: -0.011 local terms energy: -370.337624 where: bonds (distance) C4'-P energy: -82.791 bonds (distance) P-C4' energy: -87.918 flat angles C4'-P-C4' energy: -82.837 flat angles P-C4'-P energy: -53.633 tors. eta vs tors. theta energy: -63.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1020.729186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.729186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.729186 (E_RNA) where: Base-Base interactions energy: -643.961 where: short stacking energy: -300.317 Base-Backbone interact. energy: 0.208 local terms energy: -376.976088 where: bonds (distance) C4'-P energy: -88.636 bonds (distance) P-C4' energy: -94.539 flat angles C4'-P-C4' energy: -72.400 flat angles P-C4'-P energy: -57.858 tors. eta vs tors. theta energy: -63.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -791.030300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.030300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.030300 (E_RNA) where: Base-Base interactions energy: -475.539 where: short stacking energy: -228.583 Base-Backbone interact. energy: 5.423 local terms energy: -320.914624 where: bonds (distance) C4'-P energy: -74.116 bonds (distance) P-C4' energy: -82.817 flat angles C4'-P-C4' energy: -76.756 flat angles P-C4'-P energy: -49.169 tors. eta vs tors. theta energy: -38.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -468.000925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.000925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.000925 (E_RNA) where: Base-Base interactions energy: -197.617 where: short stacking energy: -116.222 Base-Backbone interact. energy: -1.217 local terms energy: -269.166494 where: bonds (distance) C4'-P energy: -67.125 bonds (distance) P-C4' energy: -96.364 flat angles C4'-P-C4' energy: -65.380 flat angles P-C4'-P energy: -49.183 tors. eta vs tors. theta energy: 8.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1740.490689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.490689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.490689 (E_RNA) where: Base-Base interactions energy: -1179.663 where: short stacking energy: -526.076 Base-Backbone interact. energy: -2.722 local terms energy: -558.105723 where: bonds (distance) C4'-P energy: -99.231 bonds (distance) P-C4' energy: -100.881 flat angles C4'-P-C4' energy: -115.309 flat angles P-C4'-P energy: -79.071 tors. eta vs tors. theta energy: -163.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1648.432189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.432189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.432189 (E_RNA) where: Base-Base interactions energy: -1136.877 where: short stacking energy: -492.500 Base-Backbone interact. energy: -1.376 local terms energy: -510.178951 where: bonds (distance) C4'-P energy: -90.967 bonds (distance) P-C4' energy: -92.766 flat angles C4'-P-C4' energy: -105.868 flat angles P-C4'-P energy: -74.937 tors. eta vs tors. theta energy: -145.642 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: 3, replica: 8 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1644.442203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.442203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.442203 (E_RNA) where: Base-Base interactions energy: -1151.849 where: short stacking energy: -504.078 Base-Backbone interact. energy: 0.114 local terms energy: -492.707699 where: bonds (distance) C4'-P energy: -83.495 bonds (distance) P-C4' energy: -93.732 flat angles C4'-P-C4' energy: -109.261 flat angles P-C4'-P energy: -64.104 tors. eta vs tors. theta energy: -142.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1531.889917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.889917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.889917 (E_RNA) where: Base-Base interactions energy: -1030.064 where: short stacking energy: -467.930 Base-Backbone interact. energy: -1.486 local terms energy: -500.339945 where: bonds (distance) C4'-P energy: -97.065 bonds (distance) P-C4' energy: -95.005 flat angles C4'-P-C4' energy: -94.768 flat angles P-C4'-P energy: -70.864 tors. eta vs tors. theta energy: -142.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -1408.455174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.455174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.455174 (E_RNA) where: Base-Base interactions energy: -963.264 where: short stacking energy: -389.207 Base-Backbone interact. energy: -0.395 local terms energy: -444.796012 where: bonds (distance) C4'-P energy: -82.704 bonds (distance) P-C4' energy: -95.313 flat angles C4'-P-C4' energy: -97.424 flat angles P-C4'-P energy: -60.475 tors. eta vs tors. theta energy: -108.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1213.624783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.624783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.624783 (E_RNA) where: Base-Base interactions energy: -828.377 where: short stacking energy: -358.413 Base-Backbone interact. energy: -1.312 local terms energy: -383.935991 where: bonds (distance) C4'-P energy: -79.365 bonds (distance) P-C4' energy: -90.585 flat angles C4'-P-C4' energy: -83.568 flat angles P-C4'-P energy: -54.519 tors. eta vs tors. theta energy: -75.900 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: 5 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1031.399846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.399846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.399846 (E_RNA) where: Base-Base interactions energy: -666.238 where: short stacking energy: -294.545 Base-Backbone interact. energy: -0.721 local terms energy: -364.440999 where: bonds (distance) C4'-P energy: -61.750 bonds (distance) P-C4' energy: -95.669 flat angles C4'-P-C4' energy: -90.738 flat angles P-C4'-P energy: -57.871 tors. eta vs tors. theta energy: -58.413 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: 9 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -992.186456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.186456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.186456 (E_RNA) where: Base-Base interactions energy: -644.320 where: short stacking energy: -307.408 Base-Backbone interact. energy: -1.021 local terms energy: -346.845356 where: bonds (distance) C4'-P energy: -77.521 bonds (distance) P-C4' energy: -73.923 flat angles C4'-P-C4' energy: -83.744 flat angles P-C4'-P energy: -40.496 tors. eta vs tors. theta energy: -71.161 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: 1 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -785.983652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.983652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.983652 (E_RNA) where: Base-Base interactions energy: -479.543 where: short stacking energy: -227.453 Base-Backbone interact. energy: 1.431 local terms energy: -307.872128 where: bonds (distance) C4'-P energy: -76.609 bonds (distance) P-C4' energy: -96.635 flat angles C4'-P-C4' energy: -61.029 flat angles P-C4'-P energy: -56.495 tors. eta vs tors. theta energy: -17.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -475.418779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.418779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.418779 (E_RNA) where: Base-Base interactions energy: -202.088 where: short stacking energy: -133.067 Base-Backbone interact. energy: 2.304 local terms energy: -275.635242 where: bonds (distance) C4'-P energy: -55.962 bonds (distance) P-C4' energy: -84.763 flat angles C4'-P-C4' energy: -84.784 flat angles P-C4'-P energy: -43.786 tors. eta vs tors. theta energy: -6.340 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: 1, replica: 6 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1715.010257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.010257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.010257 (E_RNA) where: Base-Base interactions energy: -1190.841 where: short stacking energy: -516.372 Base-Backbone interact. energy: -0.595 local terms energy: -523.573364 where: bonds (distance) C4'-P energy: -85.278 bonds (distance) P-C4' energy: -93.903 flat angles C4'-P-C4' energy: -108.202 flat angles P-C4'-P energy: -77.976 tors. eta vs tors. theta energy: -158.214 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: 2 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1657.449795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.449795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.449795 (E_RNA) where: Base-Base interactions energy: -1147.936 where: short stacking energy: -479.189 Base-Backbone interact. energy: -0.160 local terms energy: -509.354257 where: bonds (distance) C4'-P energy: -81.620 bonds (distance) P-C4' energy: -95.566 flat angles C4'-P-C4' energy: -114.441 flat angles P-C4'-P energy: -79.223 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: 8 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1588.498475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.498475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.498475 (E_RNA) where: Base-Base interactions energy: -1088.780 where: short stacking energy: -482.821 Base-Backbone interact. energy: -0.823 local terms energy: -498.895151 where: bonds (distance) C4'-P energy: -91.845 bonds (distance) P-C4' energy: -93.293 flat angles C4'-P-C4' energy: -100.062 flat angles P-C4'-P energy: -77.952 tors. eta vs tors. theta energy: -135.743 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: 10 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -1466.005195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.005195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.005195 (E_RNA) where: Base-Base interactions energy: -1024.129 where: short stacking energy: -408.084 Base-Backbone interact. energy: 1.304 local terms energy: -443.180557 where: bonds (distance) C4'-P energy: -87.209 bonds (distance) P-C4' energy: -78.079 flat angles C4'-P-C4' energy: -100.487 flat angles P-C4'-P energy: -67.541 tors. eta vs tors. theta energy: -109.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1482.795781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.795781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.795781 (E_RNA) where: Base-Base interactions energy: -1007.282 where: short stacking energy: -439.112 Base-Backbone interact. energy: -1.532 local terms energy: -473.982171 where: bonds (distance) C4'-P energy: -92.071 bonds (distance) P-C4' energy: -89.880 flat angles C4'-P-C4' energy: -97.989 flat angles P-C4'-P energy: -67.991 tors. eta vs tors. theta energy: -126.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1048.317656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.317656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.317656 (E_RNA) where: Base-Base interactions energy: -674.951 where: short stacking energy: -320.946 Base-Backbone interact. energy: 1.289 local terms energy: -374.656131 where: bonds (distance) C4'-P energy: -79.817 bonds (distance) P-C4' energy: -84.037 flat angles C4'-P-C4' energy: -84.844 flat angles P-C4'-P energy: -59.222 tors. eta vs tors. theta energy: -66.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1218.326572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.326572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.326572 (E_RNA) where: Base-Base interactions energy: -839.517 where: short stacking energy: -353.551 Base-Backbone interact. energy: -1.680 local terms energy: -377.129559 where: bonds (distance) C4'-P energy: -74.131 bonds (distance) P-C4' energy: -87.812 flat angles C4'-P-C4' energy: -90.882 flat angles P-C4'-P energy: -47.454 tors. eta vs tors. theta energy: -76.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -926.044482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.044482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.044482 (E_RNA) where: Base-Base interactions energy: -590.082 where: short stacking energy: -253.413 Base-Backbone interact. energy: -5.521 local terms energy: -330.441047 where: bonds (distance) C4'-P energy: -76.934 bonds (distance) P-C4' energy: -75.712 flat angles C4'-P-C4' energy: -93.779 flat angles P-C4'-P energy: -48.571 tors. eta vs tors. theta energy: -35.445 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: 1 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -772.903259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.903259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.903259 (E_RNA) where: Base-Base interactions energy: -461.338 where: short stacking energy: -223.926 Base-Backbone interact. energy: -0.189 local terms energy: -311.376480 where: bonds (distance) C4'-P energy: -62.464 bonds (distance) P-C4' energy: -81.517 flat angles C4'-P-C4' energy: -86.064 flat angles P-C4'-P energy: -42.265 tors. eta vs tors. theta energy: -39.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -527.743031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.743031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.743031 (E_RNA) where: Base-Base interactions energy: -274.823 where: short stacking energy: -162.972 Base-Backbone interact. energy: -0.366 local terms energy: -252.554566 where: bonds (distance) C4'-P energy: -69.352 bonds (distance) P-C4' energy: -91.807 flat angles C4'-P-C4' energy: -61.734 flat angles P-C4'-P energy: -31.251 tors. eta vs tors. theta energy: 1.590 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: 1, replica: 6 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1712.136707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.136707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.136707 (E_RNA) where: Base-Base interactions energy: -1183.805 where: short stacking energy: -526.513 Base-Backbone interact. energy: -1.675 local terms energy: -526.656703 where: bonds (distance) C4'-P energy: -80.955 bonds (distance) P-C4' energy: -112.158 flat angles C4'-P-C4' energy: -110.353 flat angles P-C4'-P energy: -60.060 tors. eta vs tors. theta energy: -163.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1650.997822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.997822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.997822 (E_RNA) where: Base-Base interactions energy: -1176.590 where: short stacking energy: -504.675 Base-Backbone interact. energy: -1.354 local terms energy: -473.054010 where: bonds (distance) C4'-P energy: -80.912 bonds (distance) P-C4' energy: -89.564 flat angles C4'-P-C4' energy: -106.526 flat angles P-C4'-P energy: -58.649 tors. eta vs tors. theta energy: -137.404 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: 8 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1606.476254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.476254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.476254 (E_RNA) where: Base-Base interactions energy: -1078.226 where: short stacking energy: -486.863 Base-Backbone interact. energy: -2.058 local terms energy: -526.192129 where: bonds (distance) C4'-P energy: -99.498 bonds (distance) P-C4' energy: -99.003 flat angles C4'-P-C4' energy: -108.759 flat angles P-C4'-P energy: -81.744 tors. eta vs tors. theta energy: -137.188 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: 4, replica: 10 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1512.868868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.868868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.868868 (E_RNA) where: Base-Base interactions energy: -1074.634 where: short stacking energy: -404.526 Base-Backbone interact. energy: -0.288 local terms energy: -437.946130 where: bonds (distance) C4'-P energy: -83.265 bonds (distance) P-C4' energy: -89.399 flat angles C4'-P-C4' energy: -94.245 flat angles P-C4'-P energy: -55.942 tors. eta vs tors. theta energy: -115.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1482.395951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.395951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.395951 (E_RNA) where: Base-Base interactions energy: -1028.194 where: short stacking energy: -437.836 Base-Backbone interact. energy: -1.652 local terms energy: -452.549304 where: bonds (distance) C4'-P energy: -81.793 bonds (distance) P-C4' energy: -88.392 flat angles C4'-P-C4' energy: -87.662 flat angles P-C4'-P energy: -60.829 tors. eta vs tors. theta energy: -133.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1141.266252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.266252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.266252 (E_RNA) where: Base-Base interactions energy: -751.028 where: short stacking energy: -353.763 Base-Backbone interact. energy: 1.263 local terms energy: -391.501313 where: bonds (distance) C4'-P energy: -88.832 bonds (distance) P-C4' energy: -86.941 flat angles C4'-P-C4' energy: -76.951 flat angles P-C4'-P energy: -55.868 tors. eta vs tors. theta energy: -82.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1188.939373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.939373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.939373 (E_RNA) where: Base-Base interactions energy: -790.547 where: short stacking energy: -341.839 Base-Backbone interact. energy: -1.576 local terms energy: -396.816504 where: bonds (distance) C4'-P energy: -82.344 bonds (distance) P-C4' energy: -95.074 flat angles C4'-P-C4' energy: -84.118 flat angles P-C4'-P energy: -55.978 tors. eta vs tors. theta energy: -79.303 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: 9 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -962.001850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.001850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.001850 (E_RNA) where: Base-Base interactions energy: -591.447 where: short stacking energy: -261.477 Base-Backbone interact. energy: -1.127 local terms energy: -369.427743 where: bonds (distance) C4'-P energy: -81.691 bonds (distance) P-C4' energy: -88.768 flat angles C4'-P-C4' energy: -90.149 flat angles P-C4'-P energy: -54.384 tors. eta vs tors. theta energy: -54.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -751.167166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.167166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.167166 (E_RNA) where: Base-Base interactions energy: -435.493 where: short stacking energy: -206.991 Base-Backbone interact. energy: 3.782 local terms energy: -319.456072 where: bonds (distance) C4'-P energy: -89.912 bonds (distance) P-C4' energy: -90.276 flat angles C4'-P-C4' energy: -76.860 flat angles P-C4'-P energy: -36.616 tors. eta vs tors. theta energy: -25.791 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: 3 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -537.128416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.128416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.128416 (E_RNA) where: Base-Base interactions energy: -260.332 where: short stacking energy: -175.132 Base-Backbone interact. energy: 2.701 local terms energy: -279.497429 where: bonds (distance) C4'-P energy: -82.594 bonds (distance) P-C4' energy: -81.430 flat angles C4'-P-C4' energy: -57.481 flat angles P-C4'-P energy: -33.551 tors. eta vs tors. theta energy: -24.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1731.470495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.470495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.470495 (E_RNA) where: Base-Base interactions energy: -1181.044 where: short stacking energy: -524.873 Base-Backbone interact. energy: -2.042 local terms energy: -548.384327 where: bonds (distance) C4'-P energy: -95.834 bonds (distance) P-C4' energy: -104.756 flat angles C4'-P-C4' energy: -113.712 flat angles P-C4'-P energy: -75.036 tors. eta vs tors. theta energy: -159.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1656.374403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.374403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.374403 (E_RNA) where: Base-Base interactions energy: -1148.653 where: short stacking energy: -488.020 Base-Backbone interact. energy: -2.279 local terms energy: -505.441765 where: bonds (distance) C4'-P energy: -101.650 bonds (distance) P-C4' energy: -89.734 flat angles C4'-P-C4' energy: -104.968 flat angles P-C4'-P energy: -58.366 tors. eta vs tors. theta energy: -150.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1591.100431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.100431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.100431 (E_RNA) where: Base-Base interactions energy: -1083.369 where: short stacking energy: -491.078 Base-Backbone interact. energy: -1.417 local terms energy: -506.314717 where: bonds (distance) C4'-P energy: -83.966 bonds (distance) P-C4' energy: -96.632 flat angles C4'-P-C4' energy: -109.480 flat angles P-C4'-P energy: -74.152 tors. eta vs tors. theta energy: -142.085 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: 391 Temperature: 1.050000 Total energy: -1500.483525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.483525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.483525 (E_RNA) where: Base-Base interactions energy: -1024.227 where: short stacking energy: -443.092 Base-Backbone interact. energy: -3.243 local terms energy: -473.013235 where: bonds (distance) C4'-P energy: -82.781 bonds (distance) P-C4' energy: -91.353 flat angles C4'-P-C4' energy: -99.425 flat angles P-C4'-P energy: -72.667 tors. eta vs tors. theta energy: -126.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1443.411441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.411441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.411441 (E_RNA) where: Base-Base interactions energy: -1000.944 where: short stacking energy: -397.154 Base-Backbone interact. energy: -3.628 local terms energy: -438.839407 where: bonds (distance) C4'-P energy: -80.163 bonds (distance) P-C4' energy: -95.827 flat angles C4'-P-C4' energy: -91.978 flat angles P-C4'-P energy: -60.311 tors. eta vs tors. theta energy: -110.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1191.457524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.457524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.457524 (E_RNA) where: Base-Base interactions energy: -805.228 where: short stacking energy: -333.384 Base-Backbone interact. energy: -0.797 local terms energy: -385.432366 where: bonds (distance) C4'-P energy: -66.805 bonds (distance) P-C4' energy: -75.256 flat angles C4'-P-C4' energy: -90.120 flat angles P-C4'-P energy: -62.349 tors. eta vs tors. theta energy: -90.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1111.637910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.637910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.637910 (E_RNA) where: Base-Base interactions energy: -724.042 where: short stacking energy: -324.798 Base-Backbone interact. energy: 0.437 local terms energy: -388.033073 where: bonds (distance) C4'-P energy: -88.176 bonds (distance) P-C4' energy: -82.941 flat angles C4'-P-C4' energy: -82.330 flat angles P-C4'-P energy: -56.410 tors. eta vs tors. theta energy: -78.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -918.168254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.168254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.168254 (E_RNA) where: Base-Base interactions energy: -558.249 where: short stacking energy: -259.628 Base-Backbone interact. energy: 1.846 local terms energy: -361.765384 where: bonds (distance) C4'-P energy: -78.149 bonds (distance) P-C4' energy: -86.821 flat angles C4'-P-C4' energy: -91.192 flat angles P-C4'-P energy: -67.273 tors. eta vs tors. theta energy: -38.330 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: 9, replica: 1 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -727.065300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.065300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.065300 (E_RNA) where: Base-Base interactions energy: -409.379 where: short stacking energy: -212.002 Base-Backbone interact. energy: 5.387 local terms energy: -323.072564 where: bonds (distance) C4'-P energy: -89.959 bonds (distance) P-C4' energy: -86.749 flat angles C4'-P-C4' energy: -64.770 flat angles P-C4'-P energy: -47.673 tors. eta vs tors. theta energy: -33.921 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: 10, replica: 3 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -493.702827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.702827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.702827 (E_RNA) where: Base-Base interactions energy: -215.327 where: short stacking energy: -131.150 Base-Backbone interact. energy: 2.222 local terms energy: -280.597754 where: bonds (distance) C4'-P energy: -80.119 bonds (distance) P-C4' energy: -75.445 flat angles C4'-P-C4' energy: -78.862 flat angles P-C4'-P energy: -57.222 tors. eta vs tors. theta energy: 11.050 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: 6 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1732.954722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.954722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.954722 (E_RNA) where: Base-Base interactions energy: -1178.147 where: short stacking energy: -536.184 Base-Backbone interact. energy: 0.586 local terms energy: -555.394173 where: bonds (distance) C4'-P energy: -92.449 bonds (distance) P-C4' energy: -104.320 flat angles C4'-P-C4' energy: -114.919 flat angles P-C4'-P energy: -77.865 tors. eta vs tors. theta energy: -165.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1675.182147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.182147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.182147 (E_RNA) where: Base-Base interactions energy: -1149.943 where: short stacking energy: -502.443 Base-Backbone interact. energy: 0.252 local terms energy: -525.491260 where: bonds (distance) C4'-P energy: -89.603 bonds (distance) P-C4' energy: -93.010 flat angles C4'-P-C4' energy: -114.836 flat angles P-C4'-P energy: -75.983 tors. eta vs tors. theta energy: -152.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1659.655361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.655361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.655361 (E_RNA) where: Base-Base interactions energy: -1161.847 where: short stacking energy: -489.548 Base-Backbone interact. energy: 1.142 local terms energy: -498.950449 where: bonds (distance) C4'-P energy: -91.470 bonds (distance) P-C4' energy: -92.507 flat angles C4'-P-C4' energy: -105.342 flat angles P-C4'-P energy: -67.777 tors. eta vs tors. theta energy: -141.855 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: 7 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1485.494311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.494311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.494311 (E_RNA) where: Base-Base interactions energy: -1021.866 where: short stacking energy: -451.863 Base-Backbone interact. energy: -2.433 local terms energy: -461.195330 where: bonds (distance) C4'-P energy: -86.196 bonds (distance) P-C4' energy: -97.363 flat angles C4'-P-C4' energy: -89.364 flat angles P-C4'-P energy: -58.022 tors. eta vs tors. theta energy: -130.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1415.692078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.692078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.692078 (E_RNA) where: Base-Base interactions energy: -958.702 where: short stacking energy: -398.545 Base-Backbone interact. energy: -1.061 local terms energy: -455.928610 where: bonds (distance) C4'-P energy: -87.580 bonds (distance) P-C4' energy: -86.867 flat angles C4'-P-C4' energy: -92.863 flat angles P-C4'-P energy: -74.805 tors. eta vs tors. theta energy: -113.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1265.456724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.456724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.456724 (E_RNA) where: Base-Base interactions energy: -874.921 where: short stacking energy: -363.089 Base-Backbone interact. energy: -0.599 local terms energy: -389.936542 where: bonds (distance) C4'-P energy: -76.091 bonds (distance) P-C4' energy: -69.187 flat angles C4'-P-C4' energy: -92.849 flat angles P-C4'-P energy: -57.172 tors. eta vs tors. theta energy: -94.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1082.772972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.772972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.772972 (E_RNA) where: Base-Base interactions energy: -670.272 where: short stacking energy: -342.769 Base-Backbone interact. energy: -1.658 local terms energy: -410.842744 where: bonds (distance) C4'-P energy: -88.215 bonds (distance) P-C4' energy: -92.562 flat angles C4'-P-C4' energy: -85.790 flat angles P-C4'-P energy: -63.964 tors. eta vs tors. theta energy: -80.312 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: 9 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -905.188793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.188793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.188793 (E_RNA) where: Base-Base interactions energy: -551.862 where: short stacking energy: -247.028 Base-Backbone interact. energy: 1.888 local terms energy: -355.214914 where: bonds (distance) C4'-P energy: -86.274 bonds (distance) P-C4' energy: -83.240 flat angles C4'-P-C4' energy: -91.255 flat angles P-C4'-P energy: -42.590 tors. eta vs tors. theta energy: -51.856 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: 1 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -725.979976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.979976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.979976 (E_RNA) where: Base-Base interactions energy: -409.957 where: short stacking energy: -200.857 Base-Backbone interact. energy: 2.573 local terms energy: -318.595547 where: bonds (distance) C4'-P energy: -74.191 bonds (distance) P-C4' energy: -80.102 flat angles C4'-P-C4' energy: -88.759 flat angles P-C4'-P energy: -54.454 tors. eta vs tors. theta energy: -21.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -473.795389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.795389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.795389 (E_RNA) where: Base-Base interactions energy: -213.292 where: short stacking energy: -156.371 Base-Backbone interact. energy: -1.106 local terms energy: -259.397640 where: bonds (distance) C4'-P energy: -58.632 bonds (distance) P-C4' energy: -93.145 flat angles C4'-P-C4' energy: -53.842 flat angles P-C4'-P energy: -48.387 tors. eta vs tors. theta energy: -5.391 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: 1, replica: 6 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1735.177816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.177816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.177816 (E_RNA) where: Base-Base interactions energy: -1190.652 where: short stacking energy: -533.083 Base-Backbone interact. energy: -1.002 local terms energy: -543.524341 where: bonds (distance) C4'-P energy: -93.366 bonds (distance) P-C4' energy: -93.228 flat angles C4'-P-C4' energy: -118.793 flat angles P-C4'-P energy: -73.706 tors. eta vs tors. theta energy: -164.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1680.982832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.982832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.982832 (E_RNA) where: Base-Base interactions energy: -1180.979 where: short stacking energy: -500.650 Base-Backbone interact. energy: -1.521 local terms energy: -498.482089 where: bonds (distance) C4'-P energy: -81.137 bonds (distance) P-C4' energy: -92.628 flat angles C4'-P-C4' energy: -108.702 flat angles P-C4'-P energy: -72.096 tors. eta vs tors. theta energy: -143.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1609.740454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.740454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.740454 (E_RNA) where: Base-Base interactions energy: -1114.943 where: short stacking energy: -481.163 Base-Backbone interact. energy: -1.132 local terms energy: -493.665531 where: bonds (distance) C4'-P energy: -77.593 bonds (distance) P-C4' energy: -92.633 flat angles C4'-P-C4' energy: -107.552 flat angles P-C4'-P energy: -74.125 tors. eta vs tors. theta energy: -141.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1513.921057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.921057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.921057 (E_RNA) where: Base-Base interactions energy: -1047.020 where: short stacking energy: -413.214 Base-Backbone interact. energy: 1.880 local terms energy: -468.780878 where: bonds (distance) C4'-P energy: -95.168 bonds (distance) P-C4' energy: -84.307 flat angles C4'-P-C4' energy: -98.395 flat angles P-C4'-P energy: -66.584 tors. eta vs tors. theta energy: -124.327 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: 7 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -1480.146696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.146696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.146696 (E_RNA) where: Base-Base interactions energy: -1022.867 where: short stacking energy: -445.013 Base-Backbone interact. energy: -1.782 local terms energy: -455.498344 where: bonds (distance) C4'-P energy: -85.465 bonds (distance) P-C4' energy: -96.563 flat angles C4'-P-C4' energy: -82.936 flat angles P-C4'-P energy: -64.839 tors. eta vs tors. theta energy: -125.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1207.053723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.053723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.053723 (E_RNA) where: Base-Base interactions energy: -811.458 where: short stacking energy: -366.095 Base-Backbone interact. energy: 2.388 local terms energy: -397.984158 where: bonds (distance) C4'-P energy: -64.975 bonds (distance) P-C4' energy: -81.411 flat angles C4'-P-C4' energy: -100.223 flat angles P-C4'-P energy: -61.053 tors. eta vs tors. theta energy: -90.322 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: 7, replica: 5 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1037.239250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.239250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.239250 (E_RNA) where: Base-Base interactions energy: -658.503 where: short stacking energy: -297.037 Base-Backbone interact. energy: -2.762 local terms energy: -375.973835 where: bonds (distance) C4'-P energy: -83.422 bonds (distance) P-C4' energy: -96.663 flat angles C4'-P-C4' energy: -79.345 flat angles P-C4'-P energy: -46.586 tors. eta vs tors. theta energy: -69.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -789.503985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.503985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.503985 (E_RNA) where: Base-Base interactions energy: -452.109 where: short stacking energy: -242.305 Base-Backbone interact. energy: 1.362 local terms energy: -338.757335 where: bonds (distance) C4'-P energy: -76.102 bonds (distance) P-C4' energy: -89.440 flat angles C4'-P-C4' energy: -93.608 flat angles P-C4'-P energy: -57.184 tors. eta vs tors. theta energy: -22.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -870.519125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.519125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.519125 (E_RNA) where: Base-Base interactions energy: -526.403 where: short stacking energy: -255.859 Base-Backbone interact. energy: -3.018 local terms energy: -341.098598 where: bonds (distance) C4'-P energy: -86.896 bonds (distance) P-C4' energy: -72.735 flat angles C4'-P-C4' energy: -78.834 flat angles P-C4'-P energy: -48.354 tors. eta vs tors. theta energy: -54.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -492.878666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.878666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.878666 (E_RNA) where: Base-Base interactions energy: -212.440 where: short stacking energy: -139.573 Base-Backbone interact. energy: 0.567 local terms energy: -281.005958 where: bonds (distance) C4'-P energy: -85.128 bonds (distance) P-C4' energy: -68.002 flat angles C4'-P-C4' energy: -79.016 flat angles P-C4'-P energy: -53.185 tors. eta vs tors. theta energy: 4.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1718.770824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.770824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.770824 (E_RNA) where: Base-Base interactions energy: -1187.895 where: short stacking energy: -520.509 Base-Backbone interact. energy: 0.094 local terms energy: -530.970087 where: bonds (distance) C4'-P energy: -95.670 bonds (distance) P-C4' energy: -92.556 flat angles C4'-P-C4' energy: -113.132 flat angles P-C4'-P energy: -75.616 tors. eta vs tors. theta energy: -153.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1682.190422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.190422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.190422 (E_RNA) where: Base-Base interactions energy: -1166.800 where: short stacking energy: -501.033 Base-Backbone interact. energy: -1.935 local terms energy: -513.455945 where: bonds (distance) C4'-P energy: -87.836 bonds (distance) P-C4' energy: -91.730 flat angles C4'-P-C4' energy: -115.787 flat angles P-C4'-P energy: -72.682 tors. eta vs tors. theta energy: -145.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1606.313510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.313510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.313510 (E_RNA) where: Base-Base interactions energy: -1103.775 where: short stacking energy: -481.338 Base-Backbone interact. energy: -2.560 local terms energy: -499.978686 where: bonds (distance) C4'-P energy: -100.144 bonds (distance) P-C4' energy: -95.410 flat angles C4'-P-C4' energy: -102.596 flat angles P-C4'-P energy: -58.737 tors. eta vs tors. theta energy: -143.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1543.584459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.584459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.584459 (E_RNA) where: Base-Base interactions energy: -1050.818 where: short stacking energy: -454.887 Base-Backbone interact. energy: -2.043 local terms energy: -490.723672 where: bonds (distance) C4'-P energy: -98.820 bonds (distance) P-C4' energy: -85.592 flat angles C4'-P-C4' energy: -104.696 flat angles P-C4'-P energy: -61.595 tors. eta vs tors. theta energy: -140.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1497.170809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.170809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.170809 (E_RNA) where: Base-Base interactions energy: -1032.222 where: short stacking energy: -428.131 Base-Backbone interact. energy: 0.873 local terms energy: -465.821613 where: bonds (distance) C4'-P energy: -79.784 bonds (distance) P-C4' energy: -94.246 flat angles C4'-P-C4' energy: -97.054 flat angles P-C4'-P energy: -70.847 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: 4 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1212.843849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.843849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.843849 (E_RNA) where: Base-Base interactions energy: -844.166 where: short stacking energy: -343.702 Base-Backbone interact. energy: -0.059 local terms energy: -368.618836 where: bonds (distance) C4'-P energy: -69.058 bonds (distance) P-C4' energy: -75.029 flat angles C4'-P-C4' energy: -97.662 flat angles P-C4'-P energy: -51.017 tors. eta vs tors. theta energy: -75.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1066.385406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.385406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.385406 (E_RNA) where: Base-Base interactions energy: -681.518 where: short stacking energy: -315.068 Base-Backbone interact. energy: -2.523 local terms energy: -382.344174 where: bonds (distance) C4'-P energy: -94.333 bonds (distance) P-C4' energy: -93.870 flat angles C4'-P-C4' energy: -90.466 flat angles P-C4'-P energy: -48.259 tors. eta vs tors. theta energy: -55.416 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: 8, replica: 1 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -740.671455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.671455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.671455 (E_RNA) where: Base-Base interactions energy: -431.585 where: short stacking energy: -246.605 Base-Backbone interact. energy: -0.236 local terms energy: -308.850350 where: bonds (distance) C4'-P energy: -67.948 bonds (distance) P-C4' energy: -81.184 flat angles C4'-P-C4' energy: -58.616 flat angles P-C4'-P energy: -61.192 tors. eta vs tors. theta energy: -39.910 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: 9 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -855.818739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.818739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.818739 (E_RNA) where: Base-Base interactions energy: -548.273 where: short stacking energy: -261.630 Base-Backbone interact. energy: 0.226 local terms energy: -307.772148 where: bonds (distance) C4'-P energy: -68.554 bonds (distance) P-C4' energy: -83.871 flat angles C4'-P-C4' energy: -72.572 flat angles P-C4'-P energy: -45.102 tors. eta vs tors. theta energy: -37.673 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: 3 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -501.022269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.022269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.022269 (E_RNA) where: Base-Base interactions energy: -234.587 where: short stacking energy: -131.367 Base-Backbone interact. energy: 4.266 local terms energy: -270.701031 where: bonds (distance) C4'-P energy: -80.125 bonds (distance) P-C4' energy: -80.064 flat angles C4'-P-C4' energy: -87.910 flat angles P-C4'-P energy: -31.707 tors. eta vs tors. theta energy: 9.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1734.008602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.008602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.008602 (E_RNA) where: Base-Base interactions energy: -1176.258 where: short stacking energy: -533.006 Base-Backbone interact. energy: -1.193 local terms energy: -556.557818 where: bonds (distance) C4'-P energy: -97.177 bonds (distance) P-C4' energy: -102.367 flat angles C4'-P-C4' energy: -118.964 flat angles P-C4'-P energy: -78.382 tors. eta vs tors. theta energy: -159.668 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: 8 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1682.008429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.008429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.008429 (E_RNA) where: Base-Base interactions energy: -1177.486 where: short stacking energy: -502.381 Base-Backbone interact. energy: -0.470 local terms energy: -504.052800 where: bonds (distance) C4'-P energy: -86.849 bonds (distance) P-C4' energy: -90.263 flat angles C4'-P-C4' energy: -111.828 flat angles P-C4'-P energy: -71.873 tors. eta vs tors. theta energy: -143.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1609.662569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.662569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.662569 (E_RNA) where: Base-Base interactions energy: -1105.801 where: short stacking energy: -476.970 Base-Backbone interact. energy: -1.806 local terms energy: -502.056111 where: bonds (distance) C4'-P energy: -100.079 bonds (distance) P-C4' energy: -91.703 flat angles C4'-P-C4' energy: -116.795 flat angles P-C4'-P energy: -67.901 tors. eta vs tors. theta energy: -125.578 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: 4, replica: 10 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1545.801944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.801944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.801944 (E_RNA) where: Base-Base interactions energy: -1066.156 where: short stacking energy: -433.333 Base-Backbone interact. energy: -0.424 local terms energy: -479.221522 where: bonds (distance) C4'-P energy: -83.459 bonds (distance) P-C4' energy: -92.156 flat angles C4'-P-C4' energy: -101.907 flat angles P-C4'-P energy: -62.146 tors. eta vs tors. theta energy: -139.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -1460.477951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.477951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.477951 (E_RNA) where: Base-Base interactions energy: -1008.813 where: short stacking energy: -416.566 Base-Backbone interact. energy: -2.894 local terms energy: -448.770609 where: bonds (distance) C4'-P energy: -93.087 bonds (distance) P-C4' energy: -78.940 flat angles C4'-P-C4' energy: -93.833 flat angles P-C4'-P energy: -67.565 tors. eta vs tors. theta energy: -115.345 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: 4 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1238.080179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.080179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.080179 (E_RNA) where: Base-Base interactions energy: -837.212 where: short stacking energy: -364.062 Base-Backbone interact. energy: -2.192 local terms energy: -398.676425 where: bonds (distance) C4'-P energy: -89.438 bonds (distance) P-C4' energy: -85.841 flat angles C4'-P-C4' energy: -82.982 flat angles P-C4'-P energy: -45.207 tors. eta vs tors. theta energy: -95.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1050.861296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.861296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.861296 (E_RNA) where: Base-Base interactions energy: -673.215 where: short stacking energy: -322.201 Base-Backbone interact. energy: 2.735 local terms energy: -380.381075 where: bonds (distance) C4'-P energy: -82.414 bonds (distance) P-C4' energy: -96.084 flat angles C4'-P-C4' energy: -89.924 flat angles P-C4'-P energy: -49.249 tors. eta vs tors. theta energy: -62.710 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: 9 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -867.572135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.572135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.572135 (E_RNA) where: Base-Base interactions energy: -533.238 where: short stacking energy: -263.626 Base-Backbone interact. energy: 0.042 local terms energy: -334.375820 where: bonds (distance) C4'-P energy: -74.124 bonds (distance) P-C4' energy: -80.587 flat angles C4'-P-C4' energy: -81.475 flat angles P-C4'-P energy: -48.043 tors. eta vs tors. theta energy: -50.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -721.903652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.903652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.903652 (E_RNA) where: Base-Base interactions energy: -419.069 where: short stacking energy: -189.822 Base-Backbone interact. energy: -2.299 local terms energy: -300.535250 where: bonds (distance) C4'-P energy: -84.937 bonds (distance) P-C4' energy: -76.039 flat angles C4'-P-C4' energy: -84.633 flat angles P-C4'-P energy: -40.918 tors. eta vs tors. theta energy: -14.008 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: 3 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -502.539760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.539760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.539760 (E_RNA) where: Base-Base interactions energy: -233.371 where: short stacking energy: -129.259 Base-Backbone interact. energy: 2.562 local terms energy: -271.730997 where: bonds (distance) C4'-P energy: -74.879 bonds (distance) P-C4' energy: -81.422 flat angles C4'-P-C4' energy: -91.108 flat angles P-C4'-P energy: -33.033 tors. eta vs tors. theta energy: 8.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1734.336702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.336702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.336702 (E_RNA) where: Base-Base interactions energy: -1166.362 where: short stacking energy: -535.329 Base-Backbone interact. energy: -1.683 local terms energy: -566.291431 where: bonds (distance) C4'-P energy: -104.006 bonds (distance) P-C4' energy: -106.671 flat angles C4'-P-C4' energy: -115.917 flat angles P-C4'-P energy: -80.113 tors. eta vs tors. theta energy: -159.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1692.109338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.109338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.109338 (E_RNA) where: Base-Base interactions energy: -1171.220 where: short stacking energy: -503.464 Base-Backbone interact. energy: -0.032 local terms energy: -520.857134 where: bonds (distance) C4'-P energy: -97.592 bonds (distance) P-C4' energy: -94.610 flat angles C4'-P-C4' energy: -110.602 flat angles P-C4'-P energy: -71.882 tors. eta vs tors. theta energy: -146.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1584.863741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.863741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.863741 (E_RNA) where: Base-Base interactions energy: -1090.040 where: short stacking energy: -460.318 Base-Backbone interact. energy: -2.837 local terms energy: -491.986529 where: bonds (distance) C4'-P energy: -97.157 bonds (distance) P-C4' energy: -97.941 flat angles C4'-P-C4' energy: -100.239 flat angles P-C4'-P energy: -63.022 tors. eta vs tors. theta energy: -133.627 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: 10 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1545.099140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.099140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.099140 (E_RNA) where: Base-Base interactions energy: -1075.372 where: short stacking energy: -464.395 Base-Backbone interact. energy: -2.013 local terms energy: -467.714048 where: bonds (distance) C4'-P energy: -78.445 bonds (distance) P-C4' energy: -85.134 flat angles C4'-P-C4' energy: -99.853 flat angles P-C4'-P energy: -70.372 tors. eta vs tors. theta energy: -133.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1502.707536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.707536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.707536 (E_RNA) where: Base-Base interactions energy: -1033.063 where: short stacking energy: -453.145 Base-Backbone interact. energy: -1.558 local terms energy: -468.086938 where: bonds (distance) C4'-P energy: -84.121 bonds (distance) P-C4' energy: -83.190 flat angles C4'-P-C4' energy: -102.922 flat angles P-C4'-P energy: -65.298 tors. eta vs tors. theta energy: -132.556 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: 4 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1238.331896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.331896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.331896 (E_RNA) where: Base-Base interactions energy: -839.702 where: short stacking energy: -351.171 Base-Backbone interact. energy: -2.142 local terms energy: -396.488699 where: bonds (distance) C4'-P energy: -70.312 bonds (distance) P-C4' energy: -91.900 flat angles C4'-P-C4' energy: -93.523 flat angles P-C4'-P energy: -57.569 tors. eta vs tors. theta energy: -83.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1072.241566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.241566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.241566 (E_RNA) where: Base-Base interactions energy: -685.227 where: short stacking energy: -348.620 Base-Backbone interact. energy: -0.290 local terms energy: -386.725044 where: bonds (distance) C4'-P energy: -77.348 bonds (distance) P-C4' energy: -92.512 flat angles C4'-P-C4' energy: -92.853 flat angles P-C4'-P energy: -54.076 tors. eta vs tors. theta energy: -69.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -885.019358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.019358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.019358 (E_RNA) where: Base-Base interactions energy: -534.027 where: short stacking energy: -277.312 Base-Backbone interact. energy: -0.214 local terms energy: -350.778368 where: bonds (distance) C4'-P energy: -90.854 bonds (distance) P-C4' energy: -81.742 flat angles C4'-P-C4' energy: -69.111 flat angles P-C4'-P energy: -49.720 tors. eta vs tors. theta energy: -59.351 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: 1 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -726.472565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.472565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.472565 (E_RNA) where: Base-Base interactions energy: -416.299 where: short stacking energy: -201.843 Base-Backbone interact. energy: -0.072 local terms energy: -310.101295 where: bonds (distance) C4'-P energy: -89.090 bonds (distance) P-C4' energy: -87.384 flat angles C4'-P-C4' energy: -63.058 flat angles P-C4'-P energy: -54.255 tors. eta vs tors. theta energy: -16.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -481.489182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.489182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.489182 (E_RNA) where: Base-Base interactions energy: -215.872 where: short stacking energy: -133.505 Base-Backbone interact. energy: 3.316 local terms energy: -268.933251 where: bonds (distance) C4'-P energy: -84.127 bonds (distance) P-C4' energy: -75.115 flat angles C4'-P-C4' energy: -74.086 flat angles P-C4'-P energy: -37.211 tors. eta vs tors. theta energy: 1.606 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: 6 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1738.706198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.706198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.706198 (E_RNA) where: Base-Base interactions energy: -1184.814 where: short stacking energy: -527.443 Base-Backbone interact. energy: 0.544 local terms energy: -554.436038 where: bonds (distance) C4'-P energy: -95.456 bonds (distance) P-C4' energy: -99.697 flat angles C4'-P-C4' energy: -120.168 flat angles P-C4'-P energy: -75.151 tors. eta vs tors. theta energy: -163.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1666.748098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.748098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.748098 (E_RNA) where: Base-Base interactions energy: -1150.451 where: short stacking energy: -482.078 Base-Backbone interact. energy: 1.649 local terms energy: -517.946246 where: bonds (distance) C4'-P energy: -86.026 bonds (distance) P-C4' energy: -104.569 flat angles C4'-P-C4' energy: -110.500 flat angles P-C4'-P energy: -76.438 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: 3, replica: 2 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1597.074039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.074039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.074039 (E_RNA) where: Base-Base interactions energy: -1115.580 where: short stacking energy: -470.925 Base-Backbone interact. energy: 6.144 local terms energy: -487.638757 where: bonds (distance) C4'-P energy: -88.603 bonds (distance) P-C4' energy: -89.089 flat angles C4'-P-C4' energy: -100.245 flat angles P-C4'-P energy: -67.803 tors. eta vs tors. theta energy: -141.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1522.399595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.399595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.399595 (E_RNA) where: Base-Base interactions energy: -1036.415 where: short stacking energy: -413.097 Base-Backbone interact. energy: -3.227 local terms energy: -482.758166 where: bonds (distance) C4'-P energy: -90.091 bonds (distance) P-C4' energy: -94.662 flat angles C4'-P-C4' energy: -90.903 flat angles P-C4'-P energy: -84.591 tors. eta vs tors. theta energy: -122.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1478.538897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.538897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.538897 (E_RNA) where: Base-Base interactions energy: -1017.148 where: short stacking energy: -463.977 Base-Backbone interact. energy: 0.522 local terms energy: -461.912714 where: bonds (distance) C4'-P energy: -73.776 bonds (distance) P-C4' energy: -90.768 flat angles C4'-P-C4' energy: -103.065 flat angles P-C4'-P energy: -63.917 tors. eta vs tors. theta energy: -130.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1251.969852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.969852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.969852 (E_RNA) where: Base-Base interactions energy: -847.923 where: short stacking energy: -349.463 Base-Backbone interact. energy: -1.622 local terms energy: -402.425205 where: bonds (distance) C4'-P energy: -77.903 bonds (distance) P-C4' energy: -82.453 flat angles C4'-P-C4' energy: -96.882 flat angles P-C4'-P energy: -53.948 tors. eta vs tors. theta energy: -91.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1025.309398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.309398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.309398 (E_RNA) where: Base-Base interactions energy: -634.918 where: short stacking energy: -306.850 Base-Backbone interact. energy: -0.356 local terms energy: -390.035799 where: bonds (distance) C4'-P energy: -80.128 bonds (distance) P-C4' energy: -98.406 flat angles C4'-P-C4' energy: -79.099 flat angles P-C4'-P energy: -63.747 tors. eta vs tors. theta energy: -68.657 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: 8, replica: 9 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -854.797331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.797331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.797331 (E_RNA) where: Base-Base interactions energy: -513.372 where: short stacking energy: -260.300 Base-Backbone interact. energy: -1.079 local terms energy: -340.346930 where: bonds (distance) C4'-P energy: -70.658 bonds (distance) P-C4' energy: -88.479 flat angles C4'-P-C4' energy: -89.743 flat angles P-C4'-P energy: -58.230 tors. eta vs tors. theta energy: -33.237 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: 1 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -708.512808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.512808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.512808 (E_RNA) where: Base-Base interactions energy: -398.605 where: short stacking energy: -215.201 Base-Backbone interact. energy: -0.313 local terms energy: -309.594714 where: bonds (distance) C4'-P energy: -83.138 bonds (distance) P-C4' energy: -87.460 flat angles C4'-P-C4' energy: -63.230 flat angles P-C4'-P energy: -52.537 tors. eta vs tors. theta energy: -23.229 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: 3 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -490.813957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.813957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.813957 (E_RNA) where: Base-Base interactions energy: -222.600 where: short stacking energy: -131.482 Base-Backbone interact. energy: 8.623 local terms energy: -276.836420 where: bonds (distance) C4'-P energy: -83.364 bonds (distance) P-C4' energy: -87.622 flat angles C4'-P-C4' energy: -80.041 flat angles P-C4'-P energy: -20.302 tors. eta vs tors. theta energy: -5.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1740.845174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.845174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.845174 (E_RNA) where: Base-Base interactions energy: -1199.179 where: short stacking energy: -539.706 Base-Backbone interact. energy: -3.344 local terms energy: -538.322352 where: bonds (distance) C4'-P energy: -99.367 bonds (distance) P-C4' energy: -93.690 flat angles C4'-P-C4' energy: -107.646 flat angles P-C4'-P energy: -73.609 tors. eta vs tors. theta energy: -164.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1692.154241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.154241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.154241 (E_RNA) where: Base-Base interactions energy: -1174.254 where: short stacking energy: -503.517 Base-Backbone interact. energy: -0.227 local terms energy: -517.673102 where: bonds (distance) C4'-P energy: -89.750 bonds (distance) P-C4' energy: -105.707 flat angles C4'-P-C4' energy: -99.165 flat angles P-C4'-P energy: -78.994 tors. eta vs tors. theta energy: -144.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1607.128227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.128227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.128227 (E_RNA) where: Base-Base interactions energy: -1103.043 where: short stacking energy: -478.846 Base-Backbone interact. energy: -2.258 local terms energy: -501.826525 where: bonds (distance) C4'-P energy: -96.865 bonds (distance) P-C4' energy: -88.815 flat angles C4'-P-C4' energy: -109.062 flat angles P-C4'-P energy: -66.417 tors. eta vs tors. theta energy: -140.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -1500.833981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.833981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.833981 (E_RNA) where: Base-Base interactions energy: -1033.553 where: short stacking energy: -431.087 Base-Backbone interact. energy: -2.222 local terms energy: -465.059074 where: bonds (distance) C4'-P energy: -73.727 bonds (distance) P-C4' energy: -82.602 flat angles C4'-P-C4' energy: -104.154 flat angles P-C4'-P energy: -78.409 tors. eta vs tors. theta energy: -126.167 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: 7 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -1431.259066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.259066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.259066 (E_RNA) where: Base-Base interactions energy: -975.264 where: short stacking energy: -425.013 Base-Backbone interact. energy: 0.816 local terms energy: -456.811124 where: bonds (distance) C4'-P energy: -95.329 bonds (distance) P-C4' energy: -78.296 flat angles C4'-P-C4' energy: -95.104 flat angles P-C4'-P energy: -66.174 tors. eta vs tors. theta energy: -121.909 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: 4 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1261.715469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.715469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.715469 (E_RNA) where: Base-Base interactions energy: -851.011 where: short stacking energy: -358.498 Base-Backbone interact. energy: -2.426 local terms energy: -408.278190 where: bonds (distance) C4'-P energy: -78.935 bonds (distance) P-C4' energy: -86.217 flat angles C4'-P-C4' energy: -87.222 flat angles P-C4'-P energy: -68.548 tors. eta vs tors. theta energy: -87.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -992.680975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.680975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.680975 (E_RNA) where: Base-Base interactions energy: -625.423 where: short stacking energy: -315.249 Base-Backbone interact. energy: 1.843 local terms energy: -369.100541 where: bonds (distance) C4'-P energy: -76.946 bonds (distance) P-C4' energy: -89.657 flat angles C4'-P-C4' energy: -91.341 flat angles P-C4'-P energy: -44.778 tors. eta vs tors. theta energy: -66.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -867.796061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.796061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.796061 (E_RNA) where: Base-Base interactions energy: -512.107 where: short stacking energy: -255.255 Base-Backbone interact. energy: -0.850 local terms energy: -354.839097 where: bonds (distance) C4'-P energy: -81.842 bonds (distance) P-C4' energy: -89.331 flat angles C4'-P-C4' energy: -89.617 flat angles P-C4'-P energy: -50.664 tors. eta vs tors. theta energy: -43.386 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: 1 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -678.816526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.816526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.816526 (E_RNA) where: Base-Base interactions energy: -382.935 where: short stacking energy: -178.154 Base-Backbone interact. energy: 1.236 local terms energy: -297.117005 where: bonds (distance) C4'-P energy: -77.681 bonds (distance) P-C4' energy: -89.337 flat angles C4'-P-C4' energy: -72.210 flat angles P-C4'-P energy: -47.074 tors. eta vs tors. theta energy: -10.815 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: 3 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -522.958798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.958798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.958798 (E_RNA) where: Base-Base interactions energy: -262.719 where: short stacking energy: -151.833 Base-Backbone interact. energy: -0.587 local terms energy: -259.652924 where: bonds (distance) C4'-P energy: -59.055 bonds (distance) P-C4' energy: -72.091 flat angles C4'-P-C4' energy: -77.117 flat angles P-C4'-P energy: -41.943 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: 1, replica: 6 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1744.023445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.023445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.023445 (E_RNA) where: Base-Base interactions energy: -1186.445 where: short stacking energy: -536.492 Base-Backbone interact. energy: -0.497 local terms energy: -557.081598 where: bonds (distance) C4'-P energy: -102.236 bonds (distance) P-C4' energy: -104.985 flat angles C4'-P-C4' energy: -112.047 flat angles P-C4'-P energy: -75.578 tors. eta vs tors. theta energy: -162.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1697.410892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.410892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.410892 (E_RNA) where: Base-Base interactions energy: -1190.612 where: short stacking energy: -484.537 Base-Backbone interact. energy: -0.075 local terms energy: -506.724307 where: bonds (distance) C4'-P energy: -103.428 bonds (distance) P-C4' energy: -92.881 flat angles C4'-P-C4' energy: -93.520 flat angles P-C4'-P energy: -72.090 tors. eta vs tors. theta energy: -144.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1589.389333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.389333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.389333 (E_RNA) where: Base-Base interactions energy: -1084.638 where: short stacking energy: -480.425 Base-Backbone interact. energy: -3.026 local terms energy: -501.725235 where: bonds (distance) C4'-P energy: -79.639 bonds (distance) P-C4' energy: -102.489 flat angles C4'-P-C4' energy: -99.971 flat angles P-C4'-P energy: -65.361 tors. eta vs tors. theta energy: -154.267 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: 10 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1535.014550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.014550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.014550 (E_RNA) where: Base-Base interactions energy: -1057.879 where: short stacking energy: -449.102 Base-Backbone interact. energy: 0.621 local terms energy: -477.757291 where: bonds (distance) C4'-P energy: -90.050 bonds (distance) P-C4' energy: -90.059 flat angles C4'-P-C4' energy: -105.296 flat angles P-C4'-P energy: -58.895 tors. eta vs tors. theta energy: -133.458 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: 399 Temperature: 1.100000 Total energy: -1462.670507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.670507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.670507 (E_RNA) where: Base-Base interactions energy: -968.687 where: short stacking energy: -430.314 Base-Backbone interact. energy: -0.519 local terms energy: -493.464522 where: bonds (distance) C4'-P energy: -81.465 bonds (distance) P-C4' energy: -103.322 flat angles C4'-P-C4' energy: -110.242 flat angles P-C4'-P energy: -74.473 tors. eta vs tors. theta energy: -123.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1262.414209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.414209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.414209 (E_RNA) where: Base-Base interactions energy: -831.368 where: short stacking energy: -368.246 Base-Backbone interact. energy: -1.941 local terms energy: -429.105767 where: bonds (distance) C4'-P energy: -80.227 bonds (distance) P-C4' energy: -90.786 flat angles C4'-P-C4' energy: -90.679 flat angles P-C4'-P energy: -72.000 tors. eta vs tors. theta energy: -95.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -991.889134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.889134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.889134 (E_RNA) where: Base-Base interactions energy: -642.087 where: short stacking energy: -276.343 Base-Backbone interact. energy: -1.897 local terms energy: -347.905930 where: bonds (distance) C4'-P energy: -71.005 bonds (distance) P-C4' energy: -76.732 flat angles C4'-P-C4' energy: -78.237 flat angles P-C4'-P energy: -58.071 tors. eta vs tors. theta energy: -63.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -906.302220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.302220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.302220 (E_RNA) where: Base-Base interactions energy: -548.797 where: short stacking energy: -271.522 Base-Backbone interact. energy: -2.958 local terms energy: -354.547925 where: bonds (distance) C4'-P energy: -77.922 bonds (distance) P-C4' energy: -73.939 flat angles C4'-P-C4' energy: -93.646 flat angles P-C4'-P energy: -52.452 tors. eta vs tors. theta energy: -56.589 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: 1 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -765.563019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.563019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.563019 (E_RNA) where: Base-Base interactions energy: -452.662 where: short stacking energy: -217.347 Base-Backbone interact. energy: 2.393 local terms energy: -315.293360 where: bonds (distance) C4'-P energy: -70.875 bonds (distance) P-C4' energy: -80.406 flat angles C4'-P-C4' energy: -79.189 flat angles P-C4'-P energy: -57.863 tors. eta vs tors. theta energy: -26.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -529.508895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.508895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.508895 (E_RNA) where: Base-Base interactions energy: -267.476 where: short stacking energy: -168.995 Base-Backbone interact. energy: -0.395 local terms energy: -261.638033 where: bonds (distance) C4'-P energy: -61.978 bonds (distance) P-C4' energy: -80.144 flat angles C4'-P-C4' energy: -66.548 flat angles P-C4'-P energy: -47.112 tors. eta vs tors. theta energy: -5.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1756.893964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.893964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.893964 (E_RNA) where: Base-Base interactions energy: -1214.693 where: short stacking energy: -543.138 Base-Backbone interact. energy: -1.696 local terms energy: -540.504627 where: bonds (distance) C4'-P energy: -100.818 bonds (distance) P-C4' energy: -93.614 flat angles C4'-P-C4' energy: -109.659 flat angles P-C4'-P energy: -67.289 tors. eta vs tors. theta energy: -169.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1699.805668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.805668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.805668 (E_RNA) where: Base-Base interactions energy: -1194.583 where: short stacking energy: -505.367 Base-Backbone interact. energy: -0.634 local terms energy: -504.588616 where: bonds (distance) C4'-P energy: -97.856 bonds (distance) P-C4' energy: -82.855 flat angles C4'-P-C4' energy: -111.305 flat angles P-C4'-P energy: -71.701 tors. eta vs tors. theta energy: -140.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1548.968730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.968730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.968730 (E_RNA) where: Base-Base interactions energy: -1081.007 where: short stacking energy: -452.378 Base-Backbone interact. energy: -2.603 local terms energy: -465.357913 where: bonds (distance) C4'-P energy: -92.232 bonds (distance) P-C4' energy: -82.972 flat angles C4'-P-C4' energy: -99.054 flat angles P-C4'-P energy: -59.728 tors. eta vs tors. theta energy: -131.373 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: 4, replica: 2 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1592.514000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.514000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.514000 (E_RNA) where: Base-Base interactions energy: -1084.731 where: short stacking energy: -478.895 Base-Backbone interact. energy: -0.078 local terms energy: -507.704740 where: bonds (distance) C4'-P energy: -89.954 bonds (distance) P-C4' energy: -103.928 flat angles C4'-P-C4' energy: -100.808 flat angles P-C4'-P energy: -67.699 tors. eta vs tors. theta energy: -145.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1440.461984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.461984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.461984 (E_RNA) where: Base-Base interactions energy: -990.154 where: short stacking energy: -431.117 Base-Backbone interact. energy: -0.580 local terms energy: -449.728263 where: bonds (distance) C4'-P energy: -81.369 bonds (distance) P-C4' energy: -85.059 flat angles C4'-P-C4' energy: -96.314 flat angles P-C4'-P energy: -73.511 tors. eta vs tors. theta energy: -113.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1258.932120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.932120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.932120 (E_RNA) where: Base-Base interactions energy: -835.061 where: short stacking energy: -356.350 Base-Backbone interact. energy: -1.465 local terms energy: -422.406763 where: bonds (distance) C4'-P energy: -81.698 bonds (distance) P-C4' energy: -93.979 flat angles C4'-P-C4' energy: -86.842 flat angles P-C4'-P energy: -67.469 tors. eta vs tors. theta energy: -92.419 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: 5 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1066.178077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.178077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.178077 (E_RNA) where: Base-Base interactions energy: -705.694 where: short stacking energy: -321.923 Base-Backbone interact. energy: 0.473 local terms energy: -360.956431 where: bonds (distance) C4'-P energy: -73.579 bonds (distance) P-C4' energy: -92.646 flat angles C4'-P-C4' energy: -95.147 flat angles P-C4'-P energy: -34.695 tors. eta vs tors. theta energy: -64.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -883.361925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.361925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.361925 (E_RNA) where: Base-Base interactions energy: -555.764 where: short stacking energy: -247.760 Base-Backbone interact. energy: 0.651 local terms energy: -328.249121 where: bonds (distance) C4'-P energy: -81.767 bonds (distance) P-C4' energy: -74.978 flat angles C4'-P-C4' energy: -73.439 flat angles P-C4'-P energy: -54.600 tors. eta vs tors. theta energy: -43.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -747.579652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.579652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.579652 (E_RNA) where: Base-Base interactions energy: -439.936 where: short stacking energy: -218.637 Base-Backbone interact. energy: -0.364 local terms energy: -307.280308 where: bonds (distance) C4'-P energy: -78.106 bonds (distance) P-C4' energy: -78.608 flat angles C4'-P-C4' energy: -76.540 flat angles P-C4'-P energy: -51.526 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: 10, replica: 3 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -496.773941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.773941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.773941 (E_RNA) where: Base-Base interactions energy: -263.309 where: short stacking energy: -174.220 Base-Backbone interact. energy: -0.231 local terms energy: -233.233737 where: bonds (distance) C4'-P energy: -66.161 bonds (distance) P-C4' energy: -79.852 flat angles C4'-P-C4' energy: -68.687 flat angles P-C4'-P energy: -11.629 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: 6 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1731.142332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.142332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.142332 (E_RNA) where: Base-Base interactions energy: -1169.337 where: short stacking energy: -542.686 Base-Backbone interact. energy: -2.754 local terms energy: -559.051398 where: bonds (distance) C4'-P energy: -96.784 bonds (distance) P-C4' energy: -101.341 flat angles C4'-P-C4' energy: -118.680 flat angles P-C4'-P energy: -75.341 tors. eta vs tors. theta energy: -166.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1674.215035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.215035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.215035 (E_RNA) where: Base-Base interactions energy: -1156.990 where: short stacking energy: -487.221 Base-Backbone interact. energy: 1.239 local terms energy: -518.464002 where: bonds (distance) C4'-P energy: -91.512 bonds (distance) P-C4' energy: -93.940 flat angles C4'-P-C4' energy: -107.815 flat angles P-C4'-P energy: -75.634 tors. eta vs tors. theta energy: -149.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1563.161380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.161380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.161380 (E_RNA) where: Base-Base interactions energy: -1075.545 where: short stacking energy: -430.266 Base-Backbone interact. energy: -2.833 local terms energy: -484.783487 where: bonds (distance) C4'-P energy: -83.456 bonds (distance) P-C4' energy: -102.279 flat angles C4'-P-C4' energy: -104.889 flat angles P-C4'-P energy: -70.461 tors. eta vs tors. theta energy: -123.699 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: 2 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1521.135607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.135607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.135607 (E_RNA) where: Base-Base interactions energy: -1058.042 where: short stacking energy: -461.401 Base-Backbone interact. energy: -1.082 local terms energy: -462.011282 where: bonds (distance) C4'-P energy: -80.166 bonds (distance) P-C4' energy: -80.201 flat angles C4'-P-C4' energy: -108.199 flat angles P-C4'-P energy: -59.318 tors. eta vs tors. theta energy: -134.126 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: 7 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1442.367455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.367455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.367455 (E_RNA) where: Base-Base interactions energy: -1005.231 where: short stacking energy: -420.444 Base-Backbone interact. energy: 0.985 local terms energy: -438.121464 where: bonds (distance) C4'-P energy: -85.463 bonds (distance) P-C4' energy: -86.698 flat angles C4'-P-C4' energy: -93.071 flat angles P-C4'-P energy: -49.883 tors. eta vs tors. theta energy: -123.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1228.015408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.015408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.015408 (E_RNA) where: Base-Base interactions energy: -838.392 where: short stacking energy: -341.654 Base-Backbone interact. energy: 0.263 local terms energy: -389.886504 where: bonds (distance) C4'-P energy: -81.280 bonds (distance) P-C4' energy: -89.428 flat angles C4'-P-C4' energy: -84.253 flat angles P-C4'-P energy: -57.299 tors. eta vs tors. theta energy: -77.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -980.767759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.767759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.767759 (E_RNA) where: Base-Base interactions energy: -601.039 where: short stacking energy: -276.095 Base-Backbone interact. energy: -1.866 local terms energy: -377.862926 where: bonds (distance) C4'-P energy: -76.039 bonds (distance) P-C4' energy: -91.616 flat angles C4'-P-C4' energy: -82.338 flat angles P-C4'-P energy: -62.827 tors. eta vs tors. theta energy: -65.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -877.513339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.513339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.513339 (E_RNA) where: Base-Base interactions energy: -545.837 where: short stacking energy: -267.143 Base-Backbone interact. energy: 3.000 local terms energy: -334.676066 where: bonds (distance) C4'-P energy: -92.778 bonds (distance) P-C4' energy: -82.384 flat angles C4'-P-C4' energy: -67.262 flat angles P-C4'-P energy: -55.279 tors. eta vs tors. theta energy: -36.973 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: 1 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -764.509512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.509512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.509512 (E_RNA) where: Base-Base interactions energy: -443.537 where: short stacking energy: -200.617 Base-Backbone interact. energy: -1.778 local terms energy: -319.194609 where: bonds (distance) C4'-P energy: -87.557 bonds (distance) P-C4' energy: -72.590 flat angles C4'-P-C4' energy: -80.854 flat angles P-C4'-P energy: -52.954 tors. eta vs tors. theta energy: -25.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -492.969514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.969514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.969514 (E_RNA) where: Base-Base interactions energy: -229.308 where: short stacking energy: -139.753 Base-Backbone interact. energy: -0.519 local terms energy: -263.142167 where: bonds (distance) C4'-P energy: -88.309 bonds (distance) P-C4' energy: -87.947 flat angles C4'-P-C4' energy: -72.544 flat angles P-C4'-P energy: -21.830 tors. eta vs tors. theta energy: 7.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1732.746342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.746342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.746342 (E_RNA) where: Base-Base interactions energy: -1194.590 where: short stacking energy: -535.632 Base-Backbone interact. energy: -1.482 local terms energy: -536.674335 where: bonds (distance) C4'-P energy: -91.196 bonds (distance) P-C4' energy: -90.977 flat angles C4'-P-C4' energy: -106.746 flat angles P-C4'-P energy: -80.474 tors. eta vs tors. theta energy: -167.281 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: 402 Temperature: 0.950000 Total energy: -1713.829192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.829192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.829192 (E_RNA) where: Base-Base interactions energy: -1211.106 where: short stacking energy: -516.596 Base-Backbone interact. energy: 3.784 local terms energy: -506.507469 where: bonds (distance) C4'-P energy: -90.874 bonds (distance) P-C4' energy: -100.569 flat angles C4'-P-C4' energy: -115.374 flat angles P-C4'-P energy: -60.075 tors. eta vs tors. theta energy: -139.615 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: 2 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1612.143750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.143750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.143750 (E_RNA) where: Base-Base interactions energy: -1112.056 where: short stacking energy: -484.515 Base-Backbone interact. energy: 1.537 local terms energy: -501.624759 where: bonds (distance) C4'-P energy: -93.384 bonds (distance) P-C4' energy: -87.979 flat angles C4'-P-C4' energy: -100.862 flat angles P-C4'-P energy: -72.797 tors. eta vs tors. theta energy: -146.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1533.636257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.636257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.636257 (E_RNA) where: Base-Base interactions energy: -1048.323 where: short stacking energy: -447.659 Base-Backbone interact. energy: -0.956 local terms energy: -484.357230 where: bonds (distance) C4'-P energy: -95.019 bonds (distance) P-C4' energy: -86.187 flat angles C4'-P-C4' energy: -102.710 flat angles P-C4'-P energy: -66.730 tors. eta vs tors. theta energy: -133.712 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: 7 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1508.123108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.123108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.123108 (E_RNA) where: Base-Base interactions energy: -1030.997 where: short stacking energy: -453.234 Base-Backbone interact. energy: -0.454 local terms energy: -476.672768 where: bonds (distance) C4'-P energy: -77.243 bonds (distance) P-C4' energy: -94.864 flat angles C4'-P-C4' energy: -102.400 flat angles P-C4'-P energy: -78.082 tors. eta vs tors. theta energy: -124.084 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: 4 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1274.156892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.156892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.156892 (E_RNA) where: Base-Base interactions energy: -868.004 where: short stacking energy: -361.944 Base-Backbone interact. energy: -2.836 local terms energy: -403.317020 where: bonds (distance) C4'-P energy: -77.964 bonds (distance) P-C4' energy: -85.095 flat angles C4'-P-C4' energy: -87.944 flat angles P-C4'-P energy: -59.231 tors. eta vs tors. theta energy: -93.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1019.702207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.702207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.702207 (E_RNA) where: Base-Base interactions energy: -617.941 where: short stacking energy: -291.992 Base-Backbone interact. energy: -1.483 local terms energy: -400.278470 where: bonds (distance) C4'-P energy: -91.585 bonds (distance) P-C4' energy: -92.904 flat angles C4'-P-C4' energy: -89.568 flat angles P-C4'-P energy: -66.171 tors. eta vs tors. theta energy: -60.050 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: 8, replica: 9 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -914.486615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.486615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.486615 (E_RNA) where: Base-Base interactions energy: -567.573 where: short stacking energy: -274.643 Base-Backbone interact. energy: -0.108 local terms energy: -346.805344 where: bonds (distance) C4'-P energy: -80.229 bonds (distance) P-C4' energy: -82.955 flat angles C4'-P-C4' energy: -76.911 flat angles P-C4'-P energy: -56.305 tors. eta vs tors. theta energy: -50.405 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: 1 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -767.353712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.353712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.353712 (E_RNA) where: Base-Base interactions energy: -425.175 where: short stacking energy: -209.627 Base-Backbone interact. energy: -1.180 local terms energy: -340.999127 where: bonds (distance) C4'-P energy: -81.664 bonds (distance) P-C4' energy: -84.911 flat angles C4'-P-C4' energy: -79.527 flat angles P-C4'-P energy: -59.106 tors. eta vs tors. theta energy: -35.792 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: 3 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -513.228050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.228050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.228050 (E_RNA) where: Base-Base interactions energy: -245.009 where: short stacking energy: -141.429 Base-Backbone interact. energy: 0.427 local terms energy: -268.646021 where: bonds (distance) C4'-P energy: -78.375 bonds (distance) P-C4' energy: -77.094 flat angles C4'-P-C4' energy: -66.504 flat angles P-C4'-P energy: -37.666 tors. eta vs tors. theta energy: -9.007 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: 6 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1707.582641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.582641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.582641 (E_RNA) where: Base-Base interactions energy: -1174.177 where: short stacking energy: -523.428 Base-Backbone interact. energy: -1.470 local terms energy: -531.935638 where: bonds (distance) C4'-P energy: -88.952 bonds (distance) P-C4' energy: -105.340 flat angles C4'-P-C4' energy: -105.834 flat angles P-C4'-P energy: -75.819 tors. eta vs tors. theta energy: -155.990 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: 2 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1643.630937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.630937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.630937 (E_RNA) where: Base-Base interactions energy: -1119.885 where: short stacking energy: -503.317 Base-Backbone interact. energy: -1.298 local terms energy: -522.447922 where: bonds (distance) C4'-P energy: -96.734 bonds (distance) P-C4' energy: -98.789 flat angles C4'-P-C4' energy: -102.458 flat angles P-C4'-P energy: -79.243 tors. eta vs tors. theta energy: -145.223 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: 8 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1656.041287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.041287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.041287 (E_RNA) where: Base-Base interactions energy: -1150.098 where: short stacking energy: -505.189 Base-Backbone interact. energy: -4.102 local terms energy: -501.841201 where: bonds (distance) C4'-P energy: -95.226 bonds (distance) P-C4' energy: -94.011 flat angles C4'-P-C4' energy: -112.894 flat angles P-C4'-P energy: -60.487 tors. eta vs tors. theta energy: -139.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1549.373077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.373077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.373077 (E_RNA) where: Base-Base interactions energy: -1061.771 where: short stacking energy: -423.993 Base-Backbone interact. energy: -2.919 local terms energy: -484.682574 where: bonds (distance) C4'-P energy: -93.385 bonds (distance) P-C4' energy: -88.612 flat angles C4'-P-C4' energy: -101.244 flat angles P-C4'-P energy: -72.040 tors. eta vs tors. theta energy: -129.401 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: 7 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -1517.653957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.653957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.653957 (E_RNA) where: Base-Base interactions energy: -1034.241 where: short stacking energy: -447.732 Base-Backbone interact. energy: -1.017 local terms energy: -482.396500 where: bonds (distance) C4'-P energy: -83.646 bonds (distance) P-C4' energy: -96.416 flat angles C4'-P-C4' energy: -98.194 flat angles P-C4'-P energy: -72.809 tors. eta vs tors. theta energy: -131.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1267.928008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.928008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.928008 (E_RNA) where: Base-Base interactions energy: -851.492 where: short stacking energy: -373.842 Base-Backbone interact. energy: 1.347 local terms energy: -417.783285 where: bonds (distance) C4'-P energy: -74.885 bonds (distance) P-C4' energy: -78.115 flat angles C4'-P-C4' energy: -98.017 flat angles P-C4'-P energy: -63.074 tors. eta vs tors. theta energy: -103.694 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: 5 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1037.694721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.694721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.694721 (E_RNA) where: Base-Base interactions energy: -648.893 where: short stacking energy: -314.596 Base-Backbone interact. energy: -1.042 local terms energy: -387.759619 where: bonds (distance) C4'-P energy: -79.207 bonds (distance) P-C4' energy: -83.246 flat angles C4'-P-C4' energy: -88.852 flat angles P-C4'-P energy: -57.272 tors. eta vs tors. theta energy: -79.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -808.092285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.092285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.092285 (E_RNA) where: Base-Base interactions energy: -491.317 where: short stacking energy: -249.754 Base-Backbone interact. energy: -0.914 local terms energy: -315.861448 where: bonds (distance) C4'-P energy: -65.648 bonds (distance) P-C4' energy: -84.967 flat angles C4'-P-C4' energy: -74.904 flat angles P-C4'-P energy: -50.611 tors. eta vs tors. theta energy: -39.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -821.285130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.285130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.285130 (E_RNA) where: Base-Base interactions energy: -507.097 where: short stacking energy: -229.131 Base-Backbone interact. energy: 7.229 local terms energy: -321.417291 where: bonds (distance) C4'-P energy: -97.788 bonds (distance) P-C4' energy: -80.262 flat angles C4'-P-C4' energy: -69.812 flat angles P-C4'-P energy: -44.255 tors. eta vs tors. theta energy: -29.300 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: 3 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -495.461657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.461657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.461657 (E_RNA) where: Base-Base interactions energy: -223.849 where: short stacking energy: -151.443 Base-Backbone interact. energy: -0.287 local terms energy: -271.325651 where: bonds (distance) C4'-P energy: -72.005 bonds (distance) P-C4' energy: -81.301 flat angles C4'-P-C4' energy: -72.510 flat angles P-C4'-P energy: -40.594 tors. eta vs tors. theta energy: -4.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1739.594491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.594491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.594491 (E_RNA) where: Base-Base interactions energy: -1193.784 where: short stacking energy: -528.803 Base-Backbone interact. energy: -2.094 local terms energy: -543.716760 where: bonds (distance) C4'-P energy: -92.116 bonds (distance) P-C4' energy: -92.591 flat angles C4'-P-C4' energy: -114.247 flat angles P-C4'-P energy: -83.389 tors. eta vs tors. theta energy: -161.375 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: 404 Temperature: 0.950000 Total energy: -1631.608014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.608014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.608014 (E_RNA) where: Base-Base interactions energy: -1121.195 where: short stacking energy: -470.064 Base-Backbone interact. energy: -2.236 local terms energy: -508.176321 where: bonds (distance) C4'-P energy: -97.497 bonds (distance) P-C4' energy: -89.012 flat angles C4'-P-C4' energy: -107.122 flat angles P-C4'-P energy: -72.123 tors. eta vs tors. theta energy: -142.423 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: 8 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1649.743859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.743859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.743859 (E_RNA) where: Base-Base interactions energy: -1146.613 where: short stacking energy: -481.142 Base-Backbone interact. energy: -3.242 local terms energy: -499.888921 where: bonds (distance) C4'-P energy: -93.928 bonds (distance) P-C4' energy: -104.619 flat angles C4'-P-C4' energy: -104.027 flat angles P-C4'-P energy: -65.013 tors. eta vs tors. theta energy: -132.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1533.600094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.600094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.600094 (E_RNA) where: Base-Base interactions energy: -1060.223 where: short stacking energy: -441.784 Base-Backbone interact. energy: -1.580 local terms energy: -471.796749 where: bonds (distance) C4'-P energy: -87.954 bonds (distance) P-C4' energy: -86.964 flat angles C4'-P-C4' energy: -91.142 flat angles P-C4'-P energy: -72.815 tors. eta vs tors. theta energy: -132.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -1496.370916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.370916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.370916 (E_RNA) where: Base-Base interactions energy: -1054.854 where: short stacking energy: -442.704 Base-Backbone interact. energy: 0.397 local terms energy: -441.914659 where: bonds (distance) C4'-P energy: -79.412 bonds (distance) P-C4' energy: -68.159 flat angles C4'-P-C4' energy: -97.684 flat angles P-C4'-P energy: -65.668 tors. eta vs tors. theta energy: -130.991 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: 4 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1241.450584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.450584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.450584 (E_RNA) where: Base-Base interactions energy: -809.590 where: short stacking energy: -333.352 Base-Backbone interact. energy: -2.207 local terms energy: -429.653749 where: bonds (distance) C4'-P energy: -74.308 bonds (distance) P-C4' energy: -96.930 flat angles C4'-P-C4' energy: -94.815 flat angles P-C4'-P energy: -70.307 tors. eta vs tors. theta energy: -93.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1019.256112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.256112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.256112 (E_RNA) where: Base-Base interactions energy: -668.272 where: short stacking energy: -295.832 Base-Backbone interact. energy: -1.339 local terms energy: -349.644172 where: bonds (distance) C4'-P energy: -81.365 bonds (distance) P-C4' energy: -89.987 flat angles C4'-P-C4' energy: -78.491 flat angles P-C4'-P energy: -48.444 tors. eta vs tors. theta energy: -51.357 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: 1 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -816.816586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.816586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.816586 (E_RNA) where: Base-Base interactions energy: -484.506 where: short stacking energy: -266.728 Base-Backbone interact. energy: 1.254 local terms energy: -333.563954 where: bonds (distance) C4'-P energy: -75.813 bonds (distance) P-C4' energy: -80.394 flat angles C4'-P-C4' energy: -88.929 flat angles P-C4'-P energy: -45.591 tors. eta vs tors. theta energy: -42.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -825.814779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.814779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.814779 (E_RNA) where: Base-Base interactions energy: -511.373 where: short stacking energy: -227.860 Base-Backbone interact. energy: -3.198 local terms energy: -311.243981 where: bonds (distance) C4'-P energy: -72.137 bonds (distance) P-C4' energy: -85.890 flat angles C4'-P-C4' energy: -67.515 flat angles P-C4'-P energy: -51.112 tors. eta vs tors. theta energy: -34.591 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: 3 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -511.021211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.021211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.021211 (E_RNA) where: Base-Base interactions energy: -281.632 where: short stacking energy: -170.189 Base-Backbone interact. energy: 0.707 local terms energy: -230.096343 where: bonds (distance) C4'-P energy: -69.078 bonds (distance) P-C4' energy: -72.865 flat angles C4'-P-C4' energy: -66.886 flat angles P-C4'-P energy: -21.758 tors. eta vs tors. theta energy: 0.490 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: 6 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1729.088652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.088652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.088652 (E_RNA) where: Base-Base interactions energy: -1196.745 where: short stacking energy: -524.963 Base-Backbone interact. energy: -4.139 local terms energy: -528.205218 where: bonds (distance) C4'-P energy: -104.866 bonds (distance) P-C4' energy: -96.488 flat angles C4'-P-C4' energy: -98.549 flat angles P-C4'-P energy: -70.998 tors. eta vs tors. theta energy: -157.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1621.207939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.207939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.207939 (E_RNA) where: Base-Base interactions energy: -1101.550 where: short stacking energy: -465.908 Base-Backbone interact. energy: -0.741 local terms energy: -518.917505 where: bonds (distance) C4'-P energy: -97.152 bonds (distance) P-C4' energy: -101.480 flat angles C4'-P-C4' energy: -109.613 flat angles P-C4'-P energy: -72.594 tors. eta vs tors. theta energy: -138.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1636.339418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.339418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.339418 (E_RNA) where: Base-Base interactions energy: -1134.358 where: short stacking energy: -480.614 Base-Backbone interact. energy: 0.106 local terms energy: -502.087532 where: bonds (distance) C4'-P energy: -77.209 bonds (distance) P-C4' energy: -105.316 flat angles C4'-P-C4' energy: -107.256 flat angles P-C4'-P energy: -74.490 tors. eta vs tors. theta energy: -137.816 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: 7 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1529.936540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.936540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.936540 (E_RNA) where: Base-Base interactions energy: -1040.757 where: short stacking energy: -452.353 Base-Backbone interact. energy: -2.733 local terms energy: -486.446221 where: bonds (distance) C4'-P energy: -87.977 bonds (distance) P-C4' energy: -86.745 flat angles C4'-P-C4' energy: -106.932 flat angles P-C4'-P energy: -65.167 tors. eta vs tors. theta energy: -139.626 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: 10 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1485.546855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.546855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.546855 (E_RNA) where: Base-Base interactions energy: -1039.057 where: short stacking energy: -413.103 Base-Backbone interact. energy: 1.716 local terms energy: -448.206745 where: bonds (distance) C4'-P energy: -79.524 bonds (distance) P-C4' energy: -81.890 flat angles C4'-P-C4' energy: -99.074 flat angles P-C4'-P energy: -67.183 tors. eta vs tors. theta energy: -120.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1253.142718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.142718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.142718 (E_RNA) where: Base-Base interactions energy: -876.925 where: short stacking energy: -378.261 Base-Backbone interact. energy: 0.114 local terms energy: -376.332010 where: bonds (distance) C4'-P energy: -70.645 bonds (distance) P-C4' energy: -76.025 flat angles C4'-P-C4' energy: -88.295 flat angles P-C4'-P energy: -50.164 tors. eta vs tors. theta energy: -91.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -989.963601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.963601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.963601 (E_RNA) where: Base-Base interactions energy: -630.110 where: short stacking energy: -307.983 Base-Backbone interact. energy: -1.707 local terms energy: -358.146576 where: bonds (distance) C4'-P energy: -83.808 bonds (distance) P-C4' energy: -73.662 flat angles C4'-P-C4' energy: -73.655 flat angles P-C4'-P energy: -52.522 tors. eta vs tors. theta energy: -74.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -871.971826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.971826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.971826 (E_RNA) where: Base-Base interactions energy: -522.073 where: short stacking energy: -244.885 Base-Backbone interact. energy: 1.271 local terms energy: -351.170585 where: bonds (distance) C4'-P energy: -84.732 bonds (distance) P-C4' energy: -85.023 flat angles C4'-P-C4' energy: -70.621 flat angles P-C4'-P energy: -57.322 tors. eta vs tors. theta energy: -53.471 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: 1 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -759.021679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.021679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.021679 (E_RNA) where: Base-Base interactions energy: -445.224 where: short stacking energy: -235.927 Base-Backbone interact. energy: 1.231 local terms energy: -315.029041 where: bonds (distance) C4'-P energy: -83.258 bonds (distance) P-C4' energy: -81.546 flat angles C4'-P-C4' energy: -78.656 flat angles P-C4'-P energy: -39.031 tors. eta vs tors. theta energy: -32.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -476.906777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.906777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.906777 (E_RNA) where: Base-Base interactions energy: -224.797 where: short stacking energy: -134.216 Base-Backbone interact. energy: 4.143 local terms energy: -256.253025 where: bonds (distance) C4'-P energy: -82.045 bonds (distance) P-C4' energy: -65.098 flat angles C4'-P-C4' energy: -79.442 flat angles P-C4'-P energy: -41.692 tors. eta vs tors. theta energy: 12.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1722.598856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.598856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.598856 (E_RNA) where: Base-Base interactions energy: -1175.641 where: short stacking energy: -517.963 Base-Backbone interact. energy: -1.578 local terms energy: -545.379399 where: bonds (distance) C4'-P energy: -91.799 bonds (distance) P-C4' energy: -102.499 flat angles C4'-P-C4' energy: -113.618 flat angles P-C4'-P energy: -80.766 tors. eta vs tors. theta energy: -156.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1622.577038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.577038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.577038 (E_RNA) where: Base-Base interactions energy: -1095.918 where: short stacking energy: -494.665 Base-Backbone interact. energy: -1.355 local terms energy: -525.304434 where: bonds (distance) C4'-P energy: -95.048 bonds (distance) P-C4' energy: -100.584 flat angles C4'-P-C4' energy: -108.166 flat angles P-C4'-P energy: -72.386 tors. eta vs tors. theta energy: -149.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1660.776330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.776330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.776330 (E_RNA) where: Base-Base interactions energy: -1173.217 where: short stacking energy: -479.124 Base-Backbone interact. energy: -0.770 local terms energy: -486.789877 where: bonds (distance) C4'-P energy: -78.371 bonds (distance) P-C4' energy: -100.195 flat angles C4'-P-C4' energy: -109.666 flat angles P-C4'-P energy: -65.432 tors. eta vs tors. theta energy: -133.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1564.697589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.697589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.697589 (E_RNA) where: Base-Base interactions energy: -1071.002 where: short stacking energy: -448.748 Base-Backbone interact. energy: -3.210 local terms energy: -490.485999 where: bonds (distance) C4'-P energy: -84.439 bonds (distance) P-C4' energy: -95.643 flat angles C4'-P-C4' energy: -102.572 flat angles P-C4'-P energy: -77.132 tors. eta vs tors. theta energy: -130.700 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: 10 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -1464.901853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.901853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.901853 (E_RNA) where: Base-Base interactions energy: -1005.133 where: short stacking energy: -431.719 Base-Backbone interact. energy: -1.301 local terms energy: -458.467693 where: bonds (distance) C4'-P energy: -86.947 bonds (distance) P-C4' energy: -101.616 flat angles C4'-P-C4' energy: -91.087 flat angles P-C4'-P energy: -59.703 tors. eta vs tors. theta energy: -119.114 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: 6, replica: 4 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1268.186897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.186897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.186897 (E_RNA) where: Base-Base interactions energy: -863.390 where: short stacking energy: -346.770 Base-Backbone interact. energy: -1.147 local terms energy: -403.649971 where: bonds (distance) C4'-P energy: -85.316 bonds (distance) P-C4' energy: -71.456 flat angles C4'-P-C4' energy: -100.984 flat angles P-C4'-P energy: -64.404 tors. eta vs tors. theta energy: -81.490 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: 7, replica: 5 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -997.780151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.780151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.780151 (E_RNA) where: Base-Base interactions energy: -654.555 where: short stacking energy: -281.617 Base-Backbone interact. energy: 1.364 local terms energy: -344.588730 where: bonds (distance) C4'-P energy: -78.298 bonds (distance) P-C4' energy: -75.410 flat angles C4'-P-C4' energy: -67.456 flat angles P-C4'-P energy: -62.957 tors. eta vs tors. theta energy: -60.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -906.238708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.238708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.238708 (E_RNA) where: Base-Base interactions energy: -550.242 where: short stacking energy: -247.380 Base-Backbone interact. energy: 0.910 local terms energy: -356.906251 where: bonds (distance) C4'-P energy: -89.693 bonds (distance) P-C4' energy: -104.392 flat angles C4'-P-C4' energy: -78.686 flat angles P-C4'-P energy: -46.526 tors. eta vs tors. theta energy: -37.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -747.584807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.584807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.584807 (E_RNA) where: Base-Base interactions energy: -440.763 where: short stacking energy: -220.674 Base-Backbone interact. energy: 1.135 local terms energy: -307.957085 where: bonds (distance) C4'-P energy: -66.672 bonds (distance) P-C4' energy: -72.645 flat angles C4'-P-C4' energy: -88.215 flat angles P-C4'-P energy: -43.092 tors. eta vs tors. theta energy: -37.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -478.505051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.505051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.505051 (E_RNA) where: Base-Base interactions energy: -240.913 where: short stacking energy: -138.773 Base-Backbone interact. energy: -3.412 local terms energy: -234.180685 where: bonds (distance) C4'-P energy: -75.013 bonds (distance) P-C4' energy: -64.690 flat angles C4'-P-C4' energy: -66.847 flat angles P-C4'-P energy: -26.865 tors. eta vs tors. theta energy: -0.766 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: 6 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1733.125202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.125202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.125202 (E_RNA) where: Base-Base interactions energy: -1188.623 where: short stacking energy: -532.760 Base-Backbone interact. energy: -3.577 local terms energy: -540.924578 where: bonds (distance) C4'-P energy: -105.307 bonds (distance) P-C4' energy: -92.788 flat angles C4'-P-C4' energy: -113.032 flat angles P-C4'-P energy: -73.014 tors. eta vs tors. theta energy: -156.784 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: 8 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1689.822455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.822455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.822455 (E_RNA) where: Base-Base interactions energy: -1182.114 where: short stacking energy: -502.132 Base-Backbone interact. energy: -1.291 local terms energy: -506.417165 where: bonds (distance) C4'-P energy: -86.459 bonds (distance) P-C4' energy: -102.445 flat angles C4'-P-C4' energy: -110.061 flat angles P-C4'-P energy: -75.982 tors. eta vs tors. theta energy: -131.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1606.956650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.956650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.956650 (E_RNA) where: Base-Base interactions energy: -1106.583 where: short stacking energy: -461.415 Base-Backbone interact. energy: -3.655 local terms energy: -496.717698 where: bonds (distance) C4'-P energy: -89.985 bonds (distance) P-C4' energy: -102.355 flat angles C4'-P-C4' energy: -104.192 flat angles P-C4'-P energy: -66.348 tors. eta vs tors. theta energy: -133.838 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: 4, replica: 7 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1544.483235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.483235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.483235 (E_RNA) where: Base-Base interactions energy: -1093.011 where: short stacking energy: -473.918 Base-Backbone interact. energy: -0.448 local terms energy: -451.023668 where: bonds (distance) C4'-P energy: -83.460 bonds (distance) P-C4' energy: -61.271 flat angles C4'-P-C4' energy: -99.054 flat angles P-C4'-P energy: -71.713 tors. eta vs tors. theta energy: -135.526 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: 10 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1432.736983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.736983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.736983 (E_RNA) where: Base-Base interactions energy: -1002.944 where: short stacking energy: -421.819 Base-Backbone interact. energy: -1.686 local terms energy: -428.106913 where: bonds (distance) C4'-P energy: -79.892 bonds (distance) P-C4' energy: -96.114 flat angles C4'-P-C4' energy: -85.630 flat angles P-C4'-P energy: -44.245 tors. eta vs tors. theta energy: -122.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1225.271130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.271130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.271130 (E_RNA) where: Base-Base interactions energy: -813.316 where: short stacking energy: -367.060 Base-Backbone interact. energy: 1.080 local terms energy: -413.034752 where: bonds (distance) C4'-P energy: -76.480 bonds (distance) P-C4' energy: -88.899 flat angles C4'-P-C4' energy: -89.900 flat angles P-C4'-P energy: -62.245 tors. eta vs tors. theta energy: -95.511 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: 5 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1016.463350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.463350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.463350 (E_RNA) where: Base-Base interactions energy: -654.884 where: short stacking energy: -316.310 Base-Backbone interact. energy: -2.796 local terms energy: -358.782488 where: bonds (distance) C4'-P energy: -75.978 bonds (distance) P-C4' energy: -81.685 flat angles C4'-P-C4' energy: -81.917 flat angles P-C4'-P energy: -47.505 tors. eta vs tors. theta energy: -71.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -960.745495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.745495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.745495 (E_RNA) where: Base-Base interactions energy: -582.132 where: short stacking energy: -292.648 Base-Backbone interact. energy: -0.868 local terms energy: -377.745233 where: bonds (distance) C4'-P energy: -77.728 bonds (distance) P-C4' energy: -88.138 flat angles C4'-P-C4' energy: -85.631 flat angles P-C4'-P energy: -55.324 tors. eta vs tors. theta energy: -70.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -761.310337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.310337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.310337 (E_RNA) where: Base-Base interactions energy: -471.742 where: short stacking energy: -250.966 Base-Backbone interact. energy: -0.868 local terms energy: -288.700841 where: bonds (distance) C4'-P energy: -70.271 bonds (distance) P-C4' energy: -75.181 flat angles C4'-P-C4' energy: -76.177 flat angles P-C4'-P energy: -38.331 tors. eta vs tors. theta energy: -28.740 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: 3 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -490.425341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.425341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.425341 (E_RNA) where: Base-Base interactions energy: -247.805 where: short stacking energy: -142.242 Base-Backbone interact. energy: -0.061 local terms energy: -242.558951 where: bonds (distance) C4'-P energy: -71.885 bonds (distance) P-C4' energy: -74.218 flat angles C4'-P-C4' energy: -65.046 flat angles P-C4'-P energy: -35.663 tors. eta vs tors. theta energy: 4.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1742.172777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.172777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.172777 (E_RNA) where: Base-Base interactions energy: -1196.812 where: short stacking energy: -538.357 Base-Backbone interact. energy: -2.071 local terms energy: -543.290327 where: bonds (distance) C4'-P energy: -85.431 bonds (distance) P-C4' energy: -104.610 flat angles C4'-P-C4' energy: -115.759 flat angles P-C4'-P energy: -78.054 tors. eta vs tors. theta energy: -159.437 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: 8 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1678.186161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.186161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.186161 (E_RNA) where: Base-Base interactions energy: -1148.505 where: short stacking energy: -486.999 Base-Backbone interact. energy: 1.955 local terms energy: -531.636138 where: bonds (distance) C4'-P energy: -101.548 bonds (distance) P-C4' energy: -98.647 flat angles C4'-P-C4' energy: -109.920 flat angles P-C4'-P energy: -76.006 tors. eta vs tors. theta energy: -145.515 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: 7 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1569.419467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.419467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.419467 (E_RNA) where: Base-Base interactions energy: -1066.295 where: short stacking energy: -447.614 Base-Backbone interact. energy: -0.338 local terms energy: -502.786514 where: bonds (distance) C4'-P energy: -95.178 bonds (distance) P-C4' energy: -94.693 flat angles C4'-P-C4' energy: -105.984 flat angles P-C4'-P energy: -67.648 tors. eta vs tors. theta energy: -139.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1568.512414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.512414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.512414 (E_RNA) where: Base-Base interactions energy: -1089.278 where: short stacking energy: -458.943 Base-Backbone interact. energy: -1.063 local terms energy: -478.171412 where: bonds (distance) C4'-P energy: -72.871 bonds (distance) P-C4' energy: -88.016 flat angles C4'-P-C4' energy: -109.780 flat angles P-C4'-P energy: -63.232 tors. eta vs tors. theta energy: -144.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1460.349918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.349918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.349918 (E_RNA) where: Base-Base interactions energy: -1000.476 where: short stacking energy: -420.974 Base-Backbone interact. energy: -0.005 local terms energy: -459.868403 where: bonds (distance) C4'-P energy: -88.516 bonds (distance) P-C4' energy: -92.989 flat angles C4'-P-C4' energy: -111.782 flat angles P-C4'-P energy: -51.284 tors. eta vs tors. theta energy: -115.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1207.817520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.817520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.817520 (E_RNA) where: Base-Base interactions energy: -818.219 where: short stacking energy: -335.552 Base-Backbone interact. energy: -0.619 local terms energy: -388.979404 where: bonds (distance) C4'-P energy: -72.636 bonds (distance) P-C4' energy: -68.226 flat angles C4'-P-C4' energy: -103.458 flat angles P-C4'-P energy: -64.321 tors. eta vs tors. theta energy: -80.338 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: 5 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -986.226485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.226485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.226485 (E_RNA) where: Base-Base interactions energy: -622.517 where: short stacking energy: -305.625 Base-Backbone interact. energy: 1.015 local terms energy: -364.724511 where: bonds (distance) C4'-P energy: -78.653 bonds (distance) P-C4' energy: -89.031 flat angles C4'-P-C4' energy: -82.087 flat angles P-C4'-P energy: -41.388 tors. eta vs tors. theta energy: -73.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -879.451860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.451860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.451860 (E_RNA) where: Base-Base interactions energy: -541.935 where: short stacking energy: -253.845 Base-Backbone interact. energy: -0.368 local terms energy: -337.148494 where: bonds (distance) C4'-P energy: -82.651 bonds (distance) P-C4' energy: -81.462 flat angles C4'-P-C4' energy: -78.767 flat angles P-C4'-P energy: -52.409 tors. eta vs tors. theta energy: -41.859 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: 9, replica: 1 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -762.871920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.871920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.871920 (E_RNA) where: Base-Base interactions energy: -417.994 where: short stacking energy: -223.222 Base-Backbone interact. energy: -1.843 local terms energy: -343.034172 where: bonds (distance) C4'-P energy: -80.379 bonds (distance) P-C4' energy: -94.641 flat angles C4'-P-C4' energy: -75.531 flat angles P-C4'-P energy: -51.777 tors. eta vs tors. theta energy: -40.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -532.882856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.882856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.882856 (E_RNA) where: Base-Base interactions energy: -250.966 where: short stacking energy: -157.645 Base-Backbone interact. energy: 0.335 local terms energy: -282.251476 where: bonds (distance) C4'-P energy: -92.101 bonds (distance) P-C4' energy: -78.449 flat angles C4'-P-C4' energy: -59.858 flat angles P-C4'-P energy: -53.823 tors. eta vs tors. theta energy: 1.980 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: 6 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1748.795051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.795051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.795051 (E_RNA) where: Base-Base interactions energy: -1187.021 where: short stacking energy: -533.044 Base-Backbone interact. energy: -0.517 local terms energy: -561.256457 where: bonds (distance) C4'-P energy: -102.757 bonds (distance) P-C4' energy: -94.994 flat angles C4'-P-C4' energy: -109.432 flat angles P-C4'-P energy: -85.211 tors. eta vs tors. theta energy: -168.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1693.553683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.553683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.553683 (E_RNA) where: Base-Base interactions energy: -1175.089 where: short stacking energy: -492.664 Base-Backbone interact. energy: 0.596 local terms energy: -519.060536 where: bonds (distance) C4'-P energy: -98.101 bonds (distance) P-C4' energy: -91.107 flat angles C4'-P-C4' energy: -119.191 flat angles P-C4'-P energy: -72.921 tors. eta vs tors. theta energy: -137.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1618.820889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.820889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.820889 (E_RNA) where: Base-Base interactions energy: -1100.119 where: short stacking energy: -467.076 Base-Backbone interact. energy: 0.302 local terms energy: -519.004794 where: bonds (distance) C4'-P energy: -96.414 bonds (distance) P-C4' energy: -86.675 flat angles C4'-P-C4' energy: -111.444 flat angles P-C4'-P energy: -76.323 tors. eta vs tors. theta energy: -148.148 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: 2 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1582.858690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.858690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.858690 (E_RNA) where: Base-Base interactions energy: -1081.692 where: short stacking energy: -437.532 Base-Backbone interact. energy: -1.356 local terms energy: -499.811171 where: bonds (distance) C4'-P energy: -97.740 bonds (distance) P-C4' energy: -96.304 flat angles C4'-P-C4' energy: -100.515 flat angles P-C4'-P energy: -58.549 tors. eta vs tors. theta energy: -146.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1427.973128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.973128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.973128 (E_RNA) where: Base-Base interactions energy: -976.964 where: short stacking energy: -391.700 Base-Backbone interact. energy: -3.069 local terms energy: -447.939459 where: bonds (distance) C4'-P energy: -88.602 bonds (distance) P-C4' energy: -80.837 flat angles C4'-P-C4' energy: -100.175 flat angles P-C4'-P energy: -61.465 tors. eta vs tors. theta energy: -116.861 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: 4 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1209.195548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.195548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.195548 (E_RNA) where: Base-Base interactions energy: -828.224 where: short stacking energy: -353.757 Base-Backbone interact. energy: -4.288 local terms energy: -376.683003 where: bonds (distance) C4'-P energy: -67.950 bonds (distance) P-C4' energy: -80.501 flat angles C4'-P-C4' energy: -98.427 flat angles P-C4'-P energy: -51.723 tors. eta vs tors. theta energy: -78.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1035.927976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.927976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.927976 (E_RNA) where: Base-Base interactions energy: -688.745 where: short stacking energy: -321.714 Base-Backbone interact. energy: 4.199 local terms energy: -351.382298 where: bonds (distance) C4'-P energy: -80.304 bonds (distance) P-C4' energy: -76.008 flat angles C4'-P-C4' energy: -73.980 flat angles P-C4'-P energy: -56.283 tors. eta vs tors. theta energy: -64.806 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: 9 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -851.857971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.857971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.857971 (E_RNA) where: Base-Base interactions energy: -507.328 where: short stacking energy: -248.817 Base-Backbone interact. energy: -1.391 local terms energy: -343.139105 where: bonds (distance) C4'-P energy: -80.963 bonds (distance) P-C4' energy: -86.348 flat angles C4'-P-C4' energy: -74.807 flat angles P-C4'-P energy: -61.814 tors. eta vs tors. theta energy: -39.207 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: 1 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -749.497500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.497500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.497500 (E_RNA) where: Base-Base interactions energy: -421.933 where: short stacking energy: -229.081 Base-Backbone interact. energy: -1.125 local terms energy: -326.440143 where: bonds (distance) C4'-P energy: -87.042 bonds (distance) P-C4' energy: -98.620 flat angles C4'-P-C4' energy: -63.330 flat angles P-C4'-P energy: -42.103 tors. eta vs tors. theta energy: -35.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -439.396680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.396680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.396680 (E_RNA) where: Base-Base interactions energy: -194.345 where: short stacking energy: -126.288 Base-Backbone interact. energy: 1.203 local terms energy: -246.254880 where: bonds (distance) C4'-P energy: -81.133 bonds (distance) P-C4' energy: -85.206 flat angles C4'-P-C4' energy: -71.326 flat angles P-C4'-P energy: -26.865 tors. eta vs tors. theta energy: 18.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1753.610716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.610716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.610716 (E_RNA) where: Base-Base interactions energy: -1215.243 where: short stacking energy: -527.734 Base-Backbone interact. energy: -1.445 local terms energy: -536.922599 where: bonds (distance) C4'-P energy: -90.331 bonds (distance) P-C4' energy: -101.187 flat angles C4'-P-C4' energy: -111.217 flat angles P-C4'-P energy: -71.013 tors. eta vs tors. theta energy: -163.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1676.718367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.718367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.718367 (E_RNA) where: Base-Base interactions energy: -1178.027 where: short stacking energy: -504.456 Base-Backbone interact. energy: -2.055 local terms energy: -496.636412 where: bonds (distance) C4'-P energy: -81.309 bonds (distance) P-C4' energy: -79.381 flat angles C4'-P-C4' energy: -112.005 flat angles P-C4'-P energy: -82.818 tors. eta vs tors. theta energy: -141.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1626.463284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.463284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.463284 (E_RNA) where: Base-Base interactions energy: -1124.358 where: short stacking energy: -492.231 Base-Backbone interact. energy: -1.668 local terms energy: -500.438084 where: bonds (distance) C4'-P energy: -85.540 bonds (distance) P-C4' energy: -91.466 flat angles C4'-P-C4' energy: -108.038 flat angles P-C4'-P energy: -74.814 tors. eta vs tors. theta energy: -140.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1554.125216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.125216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.125216 (E_RNA) where: Base-Base interactions energy: -1054.340 where: short stacking energy: -441.195 Base-Backbone interact. energy: -0.424 local terms energy: -499.360668 where: bonds (distance) C4'-P energy: -105.999 bonds (distance) P-C4' energy: -94.325 flat angles C4'-P-C4' energy: -102.091 flat angles P-C4'-P energy: -66.475 tors. eta vs tors. theta energy: -130.470 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: 10 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1444.647210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.647210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.647210 (E_RNA) where: Base-Base interactions energy: -1007.243 where: short stacking energy: -424.530 Base-Backbone interact. energy: -1.241 local terms energy: -436.162834 where: bonds (distance) C4'-P energy: -83.511 bonds (distance) P-C4' energy: -81.444 flat angles C4'-P-C4' energy: -95.900 flat angles P-C4'-P energy: -62.419 tors. eta vs tors. theta energy: -112.888 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: 6, replica: 4 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1213.988201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.988201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.988201 (E_RNA) where: Base-Base interactions energy: -776.597 where: short stacking energy: -345.719 Base-Backbone interact. energy: 7.013 local terms energy: -444.403658 where: bonds (distance) C4'-P energy: -96.995 bonds (distance) P-C4' energy: -86.716 flat angles C4'-P-C4' energy: -104.562 flat angles P-C4'-P energy: -70.179 tors. eta vs tors. theta energy: -85.951 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: 5 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1028.142156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.142156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.142156 (E_RNA) where: Base-Base interactions energy: -667.170 where: short stacking energy: -298.545 Base-Backbone interact. energy: 2.667 local terms energy: -363.639085 where: bonds (distance) C4'-P energy: -73.548 bonds (distance) P-C4' energy: -93.110 flat angles C4'-P-C4' energy: -94.011 flat angles P-C4'-P energy: -51.646 tors. eta vs tors. theta energy: -51.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -925.474022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.474022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.474022 (E_RNA) where: Base-Base interactions energy: -588.173 where: short stacking energy: -254.859 Base-Backbone interact. energy: 1.468 local terms energy: -338.768910 where: bonds (distance) C4'-P energy: -88.511 bonds (distance) P-C4' energy: -77.767 flat angles C4'-P-C4' energy: -85.992 flat angles P-C4'-P energy: -44.433 tors. eta vs tors. theta energy: -42.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -763.149145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.149145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.149145 (E_RNA) where: Base-Base interactions energy: -437.447 where: short stacking energy: -227.771 Base-Backbone interact. energy: 1.134 local terms energy: -326.836218 where: bonds (distance) C4'-P energy: -80.691 bonds (distance) P-C4' energy: -83.212 flat angles C4'-P-C4' energy: -76.458 flat angles P-C4'-P energy: -45.168 tors. eta vs tors. theta energy: -41.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -514.817843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.817843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.817843 (E_RNA) where: Base-Base interactions energy: -261.492 where: short stacking energy: -157.054 Base-Backbone interact. energy: -0.102 local terms energy: -253.223973 where: bonds (distance) C4'-P energy: -77.312 bonds (distance) P-C4' energy: -78.510 flat angles C4'-P-C4' energy: -58.857 flat angles P-C4'-P energy: -32.685 tors. eta vs tors. theta energy: -5.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1761.275493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.275493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.275493 (E_RNA) where: Base-Base interactions energy: -1208.587 where: short stacking energy: -534.532 Base-Backbone interact. energy: 1.004 local terms energy: -553.692366 where: bonds (distance) C4'-P energy: -96.445 bonds (distance) P-C4' energy: -99.555 flat angles C4'-P-C4' energy: -118.326 flat angles P-C4'-P energy: -78.207 tors. eta vs tors. theta energy: -161.159 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: 8 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1672.938728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.938728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.938728 (E_RNA) where: Base-Base interactions energy: -1174.036 where: short stacking energy: -492.779 Base-Backbone interact. energy: -1.385 local terms energy: -497.517267 where: bonds (distance) C4'-P energy: -98.944 bonds (distance) P-C4' energy: -86.417 flat angles C4'-P-C4' energy: -102.562 flat angles P-C4'-P energy: -68.014 tors. eta vs tors. theta energy: -141.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1646.771873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.771873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.771873 (E_RNA) where: Base-Base interactions energy: -1137.701 where: short stacking energy: -493.657 Base-Backbone interact. energy: -1.561 local terms energy: -507.509661 where: bonds (distance) C4'-P energy: -94.833 bonds (distance) P-C4' energy: -91.004 flat angles C4'-P-C4' energy: -105.113 flat angles P-C4'-P energy: -63.516 tors. eta vs tors. theta energy: -153.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1552.359594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.359594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.359594 (E_RNA) where: Base-Base interactions energy: -1051.528 where: short stacking energy: -440.823 Base-Backbone interact. energy: -1.338 local terms energy: -499.493514 where: bonds (distance) C4'-P energy: -88.394 bonds (distance) P-C4' energy: -93.578 flat angles C4'-P-C4' energy: -100.714 flat angles P-C4'-P energy: -77.147 tors. eta vs tors. theta energy: -139.660 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: 10 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1445.179271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.179271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.179271 (E_RNA) where: Base-Base interactions energy: -1009.257 where: short stacking energy: -404.634 Base-Backbone interact. energy: -2.372 local terms energy: -433.550169 where: bonds (distance) C4'-P energy: -78.618 bonds (distance) P-C4' energy: -87.722 flat angles C4'-P-C4' energy: -95.421 flat angles P-C4'-P energy: -56.981 tors. eta vs tors. theta energy: -114.808 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: 4 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1190.265326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.265326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.265326 (E_RNA) where: Base-Base interactions energy: -828.547 where: short stacking energy: -354.025 Base-Backbone interact. energy: -1.152 local terms energy: -360.565772 where: bonds (distance) C4'-P energy: -65.877 bonds (distance) P-C4' energy: -73.655 flat angles C4'-P-C4' energy: -85.852 flat angles P-C4'-P energy: -46.200 tors. eta vs tors. theta energy: -88.982 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: 5 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1022.335328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.335328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.335328 (E_RNA) where: Base-Base interactions energy: -666.992 where: short stacking energy: -303.923 Base-Backbone interact. energy: 0.913 local terms energy: -356.256492 where: bonds (distance) C4'-P energy: -89.046 bonds (distance) P-C4' energy: -86.072 flat angles C4'-P-C4' energy: -87.261 flat angles P-C4'-P energy: -34.102 tors. eta vs tors. theta energy: -59.776 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: 8, replica: 9 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -928.860602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.860602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.860602 (E_RNA) where: Base-Base interactions energy: -592.294 where: short stacking energy: -268.522 Base-Backbone interact. energy: -1.208 local terms energy: -335.359109 where: bonds (distance) C4'-P energy: -78.337 bonds (distance) P-C4' energy: -72.478 flat angles C4'-P-C4' energy: -73.953 flat angles P-C4'-P energy: -50.019 tors. eta vs tors. theta energy: -60.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -714.143511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.143511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.143511 (E_RNA) where: Base-Base interactions energy: -411.091 where: short stacking energy: -219.219 Base-Backbone interact. energy: 3.936 local terms energy: -306.988266 where: bonds (distance) C4'-P energy: -81.599 bonds (distance) P-C4' energy: -74.503 flat angles C4'-P-C4' energy: -75.431 flat angles P-C4'-P energy: -48.391 tors. eta vs tors. theta energy: -27.064 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: 10, replica: 3 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -508.000536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.000536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.000536 (E_RNA) where: Base-Base interactions energy: -234.215 where: short stacking energy: -145.630 Base-Backbone interact. energy: -2.560 local terms energy: -271.225483 where: bonds (distance) C4'-P energy: -72.450 bonds (distance) P-C4' energy: -97.861 flat angles C4'-P-C4' energy: -68.069 flat angles P-C4'-P energy: -39.823 tors. eta vs tors. theta energy: 6.976 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: 1, replica: 6 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1735.972289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.972289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.972289 (E_RNA) where: Base-Base interactions energy: -1186.563 where: short stacking energy: -508.514 Base-Backbone interact. energy: -3.395 local terms energy: -546.014256 where: bonds (distance) C4'-P energy: -101.037 bonds (distance) P-C4' energy: -89.598 flat angles C4'-P-C4' energy: -116.443 flat angles P-C4'-P energy: -74.064 tors. eta vs tors. theta energy: -164.873 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: 8 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1680.893001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.893001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.893001 (E_RNA) where: Base-Base interactions energy: -1168.952 where: short stacking energy: -479.820 Base-Backbone interact. energy: -0.906 local terms energy: -511.034984 where: bonds (distance) C4'-P energy: -89.079 bonds (distance) P-C4' energy: -107.886 flat angles C4'-P-C4' energy: -91.527 flat angles P-C4'-P energy: -82.756 tors. eta vs tors. theta energy: -139.787 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: 7 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1660.002517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.002517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.002517 (E_RNA) where: Base-Base interactions energy: -1154.018 where: short stacking energy: -495.399 Base-Backbone interact. energy: -1.416 local terms energy: -504.568012 where: bonds (distance) C4'-P energy: -88.507 bonds (distance) P-C4' energy: -88.401 flat angles C4'-P-C4' energy: -105.091 flat angles P-C4'-P energy: -68.089 tors. eta vs tors. theta energy: -154.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1532.890489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.890489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.890489 (E_RNA) where: Base-Base interactions energy: -1052.718 where: short stacking energy: -454.812 Base-Backbone interact. energy: 0.645 local terms energy: -480.817228 where: bonds (distance) C4'-P energy: -83.106 bonds (distance) P-C4' energy: -97.994 flat angles C4'-P-C4' energy: -108.087 flat angles P-C4'-P energy: -61.687 tors. eta vs tors. theta energy: -129.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -1444.870697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.870697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.870697 (E_RNA) where: Base-Base interactions energy: -998.996 where: short stacking energy: -420.426 Base-Backbone interact. energy: 0.310 local terms energy: -446.184994 where: bonds (distance) C4'-P energy: -85.907 bonds (distance) P-C4' energy: -90.007 flat angles C4'-P-C4' energy: -101.012 flat angles P-C4'-P energy: -63.185 tors. eta vs tors. theta energy: -106.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1226.981295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.981295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.981295 (E_RNA) where: Base-Base interactions energy: -812.690 where: short stacking energy: -355.929 Base-Backbone interact. energy: -1.716 local terms energy: -412.575125 where: bonds (distance) C4'-P energy: -89.925 bonds (distance) P-C4' energy: -61.255 flat angles C4'-P-C4' energy: -95.371 flat angles P-C4'-P energy: -71.390 tors. eta vs tors. theta energy: -94.634 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: 5 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1066.680843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.680843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.680843 (E_RNA) where: Base-Base interactions energy: -683.853 where: short stacking energy: -314.809 Base-Backbone interact. energy: -1.122 local terms energy: -381.705844 where: bonds (distance) C4'-P energy: -79.887 bonds (distance) P-C4' energy: -87.470 flat angles C4'-P-C4' energy: -102.198 flat angles P-C4'-P energy: -45.478 tors. eta vs tors. theta energy: -66.673 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: 9 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -871.213736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.213736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.213736 (E_RNA) where: Base-Base interactions energy: -535.731 where: short stacking energy: -249.702 Base-Backbone interact. energy: -0.954 local terms energy: -334.528980 where: bonds (distance) C4'-P energy: -84.559 bonds (distance) P-C4' energy: -78.889 flat angles C4'-P-C4' energy: -94.120 flat angles P-C4'-P energy: -45.897 tors. eta vs tors. theta energy: -31.064 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: 1 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -741.320609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.320609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.320609 (E_RNA) where: Base-Base interactions energy: -425.300 where: short stacking energy: -223.781 Base-Backbone interact. energy: -0.741 local terms energy: -315.279239 where: bonds (distance) C4'-P energy: -81.621 bonds (distance) P-C4' energy: -96.324 flat angles C4'-P-C4' energy: -61.931 flat angles P-C4'-P energy: -42.479 tors. eta vs tors. theta energy: -32.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -510.623033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.623033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.623033 (E_RNA) where: Base-Base interactions energy: -285.969 where: short stacking energy: -187.086 Base-Backbone interact. energy: 5.917 local terms energy: -230.570756 where: bonds (distance) C4'-P energy: -69.774 bonds (distance) P-C4' energy: -80.193 flat angles C4'-P-C4' energy: -66.059 flat angles P-C4'-P energy: -4.756 tors. eta vs tors. theta energy: -9.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1737.139341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.139341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.139341 (E_RNA) where: Base-Base interactions energy: -1199.569 where: short stacking energy: -538.145 Base-Backbone interact. energy: -0.212 local terms energy: -537.358431 where: bonds (distance) C4'-P energy: -88.974 bonds (distance) P-C4' energy: -90.461 flat angles C4'-P-C4' energy: -110.794 flat angles P-C4'-P energy: -82.086 tors. eta vs tors. theta energy: -165.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1680.745945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.745945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.745945 (E_RNA) where: Base-Base interactions energy: -1176.338 where: short stacking energy: -502.657 Base-Backbone interact. energy: -1.933 local terms energy: -502.474333 where: bonds (distance) C4'-P energy: -94.470 bonds (distance) P-C4' energy: -85.523 flat angles C4'-P-C4' energy: -101.097 flat angles P-C4'-P energy: -74.485 tors. eta vs tors. theta energy: -146.899 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: 8 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1627.583580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.583580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.583580 (E_RNA) where: Base-Base interactions energy: -1126.050 where: short stacking energy: -469.449 Base-Backbone interact. energy: -3.265 local terms energy: -498.268951 where: bonds (distance) C4'-P energy: -91.494 bonds (distance) P-C4' energy: -99.001 flat angles C4'-P-C4' energy: -97.306 flat angles P-C4'-P energy: -71.863 tors. eta vs tors. theta energy: -138.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1532.656095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.656095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.656095 (E_RNA) where: Base-Base interactions energy: -1043.136 where: short stacking energy: -441.174 Base-Backbone interact. energy: 2.060 local terms energy: -491.580223 where: bonds (distance) C4'-P energy: -81.139 bonds (distance) P-C4' energy: -84.358 flat angles C4'-P-C4' energy: -105.351 flat angles P-C4'-P energy: -81.174 tors. eta vs tors. theta energy: -139.557 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: 10 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1416.102190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.102190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.102190 (E_RNA) where: Base-Base interactions energy: -967.934 where: short stacking energy: -397.005 Base-Backbone interact. energy: -1.790 local terms energy: -446.378641 where: bonds (distance) C4'-P energy: -75.664 bonds (distance) P-C4' energy: -93.237 flat angles C4'-P-C4' energy: -89.416 flat angles P-C4'-P energy: -82.356 tors. eta vs tors. theta energy: -105.705 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: 6, replica: 4 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1276.100799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.100799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.100799 (E_RNA) where: Base-Base interactions energy: -852.559 where: short stacking energy: -377.999 Base-Backbone interact. energy: -1.350 local terms energy: -422.191572 where: bonds (distance) C4'-P energy: -89.333 bonds (distance) P-C4' energy: -80.439 flat angles C4'-P-C4' energy: -87.653 flat angles P-C4'-P energy: -60.423 tors. eta vs tors. theta energy: -104.344 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: 5 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1023.199720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.199720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.199720 (E_RNA) where: Base-Base interactions energy: -663.929 where: short stacking energy: -288.640 Base-Backbone interact. energy: 4.390 local terms energy: -363.661225 where: bonds (distance) C4'-P energy: -79.828 bonds (distance) P-C4' energy: -82.777 flat angles C4'-P-C4' energy: -90.778 flat angles P-C4'-P energy: -50.371 tors. eta vs tors. theta energy: -59.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -864.367342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.367342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.367342 (E_RNA) where: Base-Base interactions energy: -516.638 where: short stacking energy: -238.186 Base-Backbone interact. energy: -0.114 local terms energy: -347.615323 where: bonds (distance) C4'-P energy: -86.929 bonds (distance) P-C4' energy: -83.788 flat angles C4'-P-C4' energy: -89.825 flat angles P-C4'-P energy: -51.598 tors. eta vs tors. theta energy: -35.475 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: 1 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -741.757386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.757386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.757386 (E_RNA) where: Base-Base interactions energy: -413.124 where: short stacking energy: -212.948 Base-Backbone interact. energy: 0.109 local terms energy: -328.742404 where: bonds (distance) C4'-P energy: -84.902 bonds (distance) P-C4' energy: -90.139 flat angles C4'-P-C4' energy: -78.355 flat angles P-C4'-P energy: -50.145 tors. eta vs tors. theta energy: -25.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -547.015216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.015216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.015216 (E_RNA) where: Base-Base interactions energy: -266.236 where: short stacking energy: -155.618 Base-Backbone interact. energy: -3.206 local terms energy: -277.573270 where: bonds (distance) C4'-P energy: -86.045 bonds (distance) P-C4' energy: -82.945 flat angles C4'-P-C4' energy: -77.883 flat angles P-C4'-P energy: -41.924 tors. eta vs tors. theta energy: 11.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1748.981153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.981153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.981153 (E_RNA) where: Base-Base interactions energy: -1216.268 where: short stacking energy: -531.317 Base-Backbone interact. energy: -0.435 local terms energy: -532.278120 where: bonds (distance) C4'-P energy: -88.728 bonds (distance) P-C4' energy: -94.396 flat angles C4'-P-C4' energy: -111.815 flat angles P-C4'-P energy: -77.637 tors. eta vs tors. theta energy: -159.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1700.883912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.883912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.883912 (E_RNA) where: Base-Base interactions energy: -1180.278 where: short stacking energy: -499.035 Base-Backbone interact. energy: -2.031 local terms energy: -518.574860 where: bonds (distance) C4'-P energy: -85.601 bonds (distance) P-C4' energy: -93.607 flat angles C4'-P-C4' energy: -114.386 flat angles P-C4'-P energy: -73.926 tors. eta vs tors. theta energy: -151.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1626.536925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.536925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.536925 (E_RNA) where: Base-Base interactions energy: -1135.089 where: short stacking energy: -482.855 Base-Backbone interact. energy: -0.485 local terms energy: -490.963278 where: bonds (distance) C4'-P energy: -88.459 bonds (distance) P-C4' energy: -89.237 flat angles C4'-P-C4' energy: -107.566 flat angles P-C4'-P energy: -64.437 tors. eta vs tors. theta energy: -141.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1523.029986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.029986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.029986 (E_RNA) where: Base-Base interactions energy: -1055.942 where: short stacking energy: -459.036 Base-Backbone interact. energy: -0.681 local terms energy: -466.406547 where: bonds (distance) C4'-P energy: -79.721 bonds (distance) P-C4' energy: -93.630 flat angles C4'-P-C4' energy: -92.983 flat angles P-C4'-P energy: -59.617 tors. eta vs tors. theta energy: -140.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1403.088202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.088202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.088202 (E_RNA) where: Base-Base interactions energy: -958.401 where: short stacking energy: -423.120 Base-Backbone interact. energy: -2.366 local terms energy: -442.321038 where: bonds (distance) C4'-P energy: -76.969 bonds (distance) P-C4' energy: -96.472 flat angles C4'-P-C4' energy: -95.550 flat angles P-C4'-P energy: -67.305 tors. eta vs tors. theta energy: -106.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1234.215252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.215252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.215252 (E_RNA) where: Base-Base interactions energy: -821.560 where: short stacking energy: -349.288 Base-Backbone interact. energy: -2.143 local terms energy: -410.513131 where: bonds (distance) C4'-P energy: -76.810 bonds (distance) P-C4' energy: -79.981 flat angles C4'-P-C4' energy: -97.281 flat angles P-C4'-P energy: -50.211 tors. eta vs tors. theta energy: -106.231 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: 7, replica: 5 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1010.242410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.242410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.242410 (E_RNA) where: Base-Base interactions energy: -635.795 where: short stacking energy: -274.414 Base-Backbone interact. energy: 1.723 local terms energy: -376.170361 where: bonds (distance) C4'-P energy: -93.366 bonds (distance) P-C4' energy: -85.989 flat angles C4'-P-C4' energy: -81.992 flat angles P-C4'-P energy: -55.378 tors. eta vs tors. theta energy: -59.446 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: 9 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -845.272896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.272896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.272896 (E_RNA) where: Base-Base interactions energy: -519.662 where: short stacking energy: -238.564 Base-Backbone interact. energy: -0.028 local terms energy: -325.582741 where: bonds (distance) C4'-P energy: -89.182 bonds (distance) P-C4' energy: -72.869 flat angles C4'-P-C4' energy: -71.171 flat angles P-C4'-P energy: -51.316 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: 9, replica: 3 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -629.476903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.476903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.476903 (E_RNA) where: Base-Base interactions energy: -347.081 where: short stacking energy: -197.169 Base-Backbone interact. energy: -1.907 local terms energy: -280.489466 where: bonds (distance) C4'-P energy: -57.394 bonds (distance) P-C4' energy: -84.197 flat angles C4'-P-C4' energy: -73.606 flat angles P-C4'-P energy: -44.183 tors. eta vs tors. theta energy: -21.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -716.814970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.814970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.814970 (E_RNA) where: Base-Base interactions energy: -423.042 where: short stacking energy: -216.573 Base-Backbone interact. energy: -2.308 local terms energy: -291.465162 where: bonds (distance) C4'-P energy: -65.453 bonds (distance) P-C4' energy: -78.994 flat angles C4'-P-C4' energy: -67.209 flat angles P-C4'-P energy: -41.296 tors. eta vs tors. theta energy: -38.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1727.817847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.817847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.817847 (E_RNA) where: Base-Base interactions energy: -1204.564 where: short stacking energy: -521.973 Base-Backbone interact. energy: 0.148 local terms energy: -523.401463 where: bonds (distance) C4'-P energy: -99.881 bonds (distance) P-C4' energy: -90.626 flat angles C4'-P-C4' energy: -99.920 flat angles P-C4'-P energy: -68.193 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: 2, replica: 7 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1662.377776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.377776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.377776 (E_RNA) where: Base-Base interactions energy: -1140.462 where: short stacking energy: -498.639 Base-Backbone interact. energy: -1.559 local terms energy: -520.356668 where: bonds (distance) C4'-P energy: -94.361 bonds (distance) P-C4' energy: -92.016 flat angles C4'-P-C4' energy: -112.203 flat angles P-C4'-P energy: -73.518 tors. eta vs tors. theta energy: -148.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1634.561682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.561682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.561682 (E_RNA) where: Base-Base interactions energy: -1153.641 where: short stacking energy: -494.426 Base-Backbone interact. energy: 3.770 local terms energy: -484.690290 where: bonds (distance) C4'-P energy: -94.016 bonds (distance) P-C4' energy: -89.851 flat angles C4'-P-C4' energy: -108.332 flat angles P-C4'-P energy: -52.283 tors. eta vs tors. theta energy: -140.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1542.135216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.135216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.135216 (E_RNA) where: Base-Base interactions energy: -1034.270 where: short stacking energy: -461.722 Base-Backbone interact. energy: -0.982 local terms energy: -506.883086 where: bonds (distance) C4'-P energy: -85.057 bonds (distance) P-C4' energy: -100.925 flat angles C4'-P-C4' energy: -105.024 flat angles P-C4'-P energy: -75.046 tors. eta vs tors. theta energy: -140.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -1414.248536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.248536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.248536 (E_RNA) where: Base-Base interactions energy: -952.163 where: short stacking energy: -384.922 Base-Backbone interact. energy: -2.321 local terms energy: -459.764722 where: bonds (distance) C4'-P energy: -93.148 bonds (distance) P-C4' energy: -101.364 flat angles C4'-P-C4' energy: -104.673 flat angles P-C4'-P energy: -54.278 tors. eta vs tors. theta energy: -106.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1287.319251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.319251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.319251 (E_RNA) where: Base-Base interactions energy: -845.899 where: short stacking energy: -362.896 Base-Backbone interact. energy: 0.363 local terms energy: -441.783868 where: bonds (distance) C4'-P energy: -88.585 bonds (distance) P-C4' energy: -93.880 flat angles C4'-P-C4' energy: -96.122 flat angles P-C4'-P energy: -60.872 tors. eta vs tors. theta energy: -102.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1006.503796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.503796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.503796 (E_RNA) where: Base-Base interactions energy: -677.524 where: short stacking energy: -316.189 Base-Backbone interact. energy: -1.923 local terms energy: -327.056412 where: bonds (distance) C4'-P energy: -74.421 bonds (distance) P-C4' energy: -71.492 flat angles C4'-P-C4' energy: -78.252 flat angles P-C4'-P energy: -41.775 tors. eta vs tors. theta energy: -61.118 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: 9 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -885.369583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.369583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.369583 (E_RNA) where: Base-Base interactions energy: -553.879 where: short stacking energy: -262.793 Base-Backbone interact. energy: 0.377 local terms energy: -331.868166 where: bonds (distance) C4'-P energy: -73.041 bonds (distance) P-C4' energy: -79.381 flat angles C4'-P-C4' energy: -60.532 flat angles P-C4'-P energy: -60.908 tors. eta vs tors. theta energy: -58.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -636.069556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.069556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.069556 (E_RNA) where: Base-Base interactions energy: -324.099 where: short stacking energy: -190.758 Base-Backbone interact. energy: 0.796 local terms energy: -312.766318 where: bonds (distance) C4'-P energy: -57.866 bonds (distance) P-C4' energy: -94.162 flat angles C4'-P-C4' energy: -85.465 flat angles P-C4'-P energy: -47.316 tors. eta vs tors. theta energy: -27.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -686.648948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.648948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.648948 (E_RNA) where: Base-Base interactions energy: -400.427 where: short stacking energy: -202.082 Base-Backbone interact. energy: -1.488 local terms energy: -284.733205 where: bonds (distance) C4'-P energy: -61.594 bonds (distance) P-C4' energy: -68.153 flat angles C4'-P-C4' energy: -75.236 flat angles P-C4'-P energy: -49.752 tors. eta vs tors. theta energy: -29.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1736.141532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.141532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.141532 (E_RNA) where: Base-Base interactions energy: -1181.476 where: short stacking energy: -528.302 Base-Backbone interact. energy: 0.094 local terms energy: -554.759418 where: bonds (distance) C4'-P energy: -96.635 bonds (distance) P-C4' energy: -96.602 flat angles C4'-P-C4' energy: -112.254 flat angles P-C4'-P energy: -81.505 tors. eta vs tors. theta energy: -167.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1684.896060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.896060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.896060 (E_RNA) where: Base-Base interactions energy: -1174.888 where: short stacking energy: -499.302 Base-Backbone interact. energy: -2.331 local terms energy: -507.677152 where: bonds (distance) C4'-P energy: -81.432 bonds (distance) P-C4' energy: -97.062 flat angles C4'-P-C4' energy: -112.933 flat angles P-C4'-P energy: -72.410 tors. eta vs tors. theta energy: -143.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1658.865329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.865329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.865329 (E_RNA) where: Base-Base interactions energy: -1153.265 where: short stacking energy: -508.253 Base-Backbone interact. energy: -0.142 local terms energy: -505.458055 where: bonds (distance) C4'-P energy: -86.473 bonds (distance) P-C4' energy: -103.262 flat angles C4'-P-C4' energy: -105.416 flat angles P-C4'-P energy: -71.448 tors. eta vs tors. theta energy: -138.859 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: 2 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1516.509165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.509165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.509165 (E_RNA) where: Base-Base interactions energy: -1057.684 where: short stacking energy: -446.299 Base-Backbone interact. energy: -1.016 local terms energy: -457.808601 where: bonds (distance) C4'-P energy: -79.785 bonds (distance) P-C4' energy: -93.156 flat angles C4'-P-C4' energy: -97.291 flat angles P-C4'-P energy: -54.997 tors. eta vs tors. theta energy: -132.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -1419.184446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.184446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.184446 (E_RNA) where: Base-Base interactions energy: -975.924 where: short stacking energy: -416.974 Base-Backbone interact. energy: -2.490 local terms energy: -440.770787 where: bonds (distance) C4'-P energy: -81.775 bonds (distance) P-C4' energy: -87.135 flat angles C4'-P-C4' energy: -91.883 flat angles P-C4'-P energy: -58.879 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: 4 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1260.477300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.477300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.477300 (E_RNA) where: Base-Base interactions energy: -853.137 where: short stacking energy: -340.753 Base-Backbone interact. energy: 0.059 local terms energy: -407.399287 where: bonds (distance) C4'-P energy: -79.911 bonds (distance) P-C4' energy: -92.329 flat angles C4'-P-C4' energy: -100.545 flat angles P-C4'-P energy: -49.145 tors. eta vs tors. theta energy: -85.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1017.706773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.706773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.706773 (E_RNA) where: Base-Base interactions energy: -625.751 where: short stacking energy: -285.619 Base-Backbone interact. energy: 1.524 local terms energy: -393.479225 where: bonds (distance) C4'-P energy: -89.739 bonds (distance) P-C4' energy: -80.656 flat angles C4'-P-C4' energy: -99.820 flat angles P-C4'-P energy: -56.479 tors. eta vs tors. theta energy: -66.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -853.539791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.539791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.539791 (E_RNA) where: Base-Base interactions energy: -508.813 where: short stacking energy: -258.484 Base-Backbone interact. energy: -3.972 local terms energy: -340.755111 where: bonds (distance) C4'-P energy: -75.948 bonds (distance) P-C4' energy: -79.338 flat angles C4'-P-C4' energy: -93.522 flat angles P-C4'-P energy: -48.292 tors. eta vs tors. theta energy: -43.656 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: 3 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -615.873301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.873301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.873301 (E_RNA) where: Base-Base interactions energy: -318.566 where: short stacking energy: -169.601 Base-Backbone interact. energy: -0.461 local terms energy: -296.845425 where: bonds (distance) C4'-P energy: -79.305 bonds (distance) P-C4' energy: -88.083 flat angles C4'-P-C4' energy: -70.884 flat angles P-C4'-P energy: -37.561 tors. eta vs tors. theta energy: -21.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -715.681775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.681775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.681775 (E_RNA) where: Base-Base interactions energy: -403.512 where: short stacking energy: -214.099 Base-Backbone interact. energy: 4.375 local terms energy: -316.545338 where: bonds (distance) C4'-P energy: -86.883 bonds (distance) P-C4' energy: -80.524 flat angles C4'-P-C4' energy: -75.576 flat angles P-C4'-P energy: -49.139 tors. eta vs tors. theta energy: -24.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1728.358213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.358213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.358213 (E_RNA) where: Base-Base interactions energy: -1182.268 where: short stacking energy: -531.646 Base-Backbone interact. energy: -1.221 local terms energy: -544.869399 where: bonds (distance) C4'-P energy: -89.878 bonds (distance) P-C4' energy: -104.720 flat angles C4'-P-C4' energy: -122.629 flat angles P-C4'-P energy: -72.649 tors. eta vs tors. theta energy: -154.994 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: 7 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1706.956655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.956655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.956655 (E_RNA) where: Base-Base interactions energy: -1197.515 where: short stacking energy: -524.032 Base-Backbone interact. energy: -0.271 local terms energy: -509.170507 where: bonds (distance) C4'-P energy: -66.375 bonds (distance) P-C4' energy: -98.307 flat angles C4'-P-C4' energy: -110.291 flat angles P-C4'-P energy: -71.692 tors. eta vs tors. theta energy: -162.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1667.105425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.105425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.105425 (E_RNA) where: Base-Base interactions energy: -1160.067 where: short stacking energy: -496.100 Base-Backbone interact. energy: 5.409 local terms energy: -512.446885 where: bonds (distance) C4'-P energy: -93.203 bonds (distance) P-C4' energy: -102.120 flat angles C4'-P-C4' energy: -111.909 flat angles P-C4'-P energy: -64.158 tors. eta vs tors. theta energy: -141.057 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: 2 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1558.180459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.180459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.180459 (E_RNA) where: Base-Base interactions energy: -1069.289 where: short stacking energy: -453.298 Base-Backbone interact. energy: -1.926 local terms energy: -486.965679 where: bonds (distance) C4'-P energy: -83.827 bonds (distance) P-C4' energy: -97.355 flat angles C4'-P-C4' energy: -104.874 flat angles P-C4'-P energy: -65.584 tors. eta vs tors. theta energy: -135.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1429.091204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.091204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.091204 (E_RNA) where: Base-Base interactions energy: -1007.168 where: short stacking energy: -403.884 Base-Backbone interact. energy: -1.099 local terms energy: -420.823730 where: bonds (distance) C4'-P energy: -78.855 bonds (distance) P-C4' energy: -72.210 flat angles C4'-P-C4' energy: -96.590 flat angles P-C4'-P energy: -62.501 tors. eta vs tors. theta energy: -110.668 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: 4 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1321.753205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.753205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.753205 (E_RNA) where: Base-Base interactions energy: -865.386 where: short stacking energy: -396.350 Base-Backbone interact. energy: -0.705 local terms energy: -455.662069 where: bonds (distance) C4'-P energy: -92.012 bonds (distance) P-C4' energy: -91.665 flat angles C4'-P-C4' energy: -97.629 flat angles P-C4'-P energy: -59.945 tors. eta vs tors. theta energy: -114.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -970.570355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.570355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.570355 (E_RNA) where: Base-Base interactions energy: -600.510 where: short stacking energy: -263.655 Base-Backbone interact. energy: 0.450 local terms energy: -370.510744 where: bonds (distance) C4'-P energy: -75.933 bonds (distance) P-C4' energy: -107.068 flat angles C4'-P-C4' energy: -81.531 flat angles P-C4'-P energy: -51.306 tors. eta vs tors. theta energy: -54.672 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: 9 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -849.760272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.760272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.760272 (E_RNA) where: Base-Base interactions energy: -501.080 where: short stacking energy: -258.913 Base-Backbone interact. energy: -2.282 local terms energy: -346.398799 where: bonds (distance) C4'-P energy: -74.219 bonds (distance) P-C4' energy: -80.072 flat angles C4'-P-C4' energy: -78.857 flat angles P-C4'-P energy: -58.484 tors. eta vs tors. theta energy: -54.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -600.566924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.566924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.566924 (E_RNA) where: Base-Base interactions energy: -329.509 where: short stacking energy: -217.908 Base-Backbone interact. energy: 3.252 local terms energy: -274.309884 where: bonds (distance) C4'-P energy: -66.359 bonds (distance) P-C4' energy: -82.568 flat angles C4'-P-C4' energy: -65.421 flat angles P-C4'-P energy: -42.089 tors. eta vs tors. theta energy: -17.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -676.562973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.562973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.562973 (E_RNA) where: Base-Base interactions energy: -395.541 where: short stacking energy: -199.654 Base-Backbone interact. energy: -1.660 local terms energy: -279.361852 where: bonds (distance) C4'-P energy: -71.018 bonds (distance) P-C4' energy: -88.400 flat angles C4'-P-C4' energy: -64.953 flat angles P-C4'-P energy: -36.832 tors. eta vs tors. theta energy: -18.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1717.835558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.835558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.835558 (E_RNA) where: Base-Base interactions energy: -1171.336 where: short stacking energy: -514.000 Base-Backbone interact. energy: -4.908 local terms energy: -541.590975 where: bonds (distance) C4'-P energy: -92.506 bonds (distance) P-C4' energy: -102.754 flat angles C4'-P-C4' energy: -105.856 flat angles P-C4'-P energy: -82.360 tors. eta vs tors. theta energy: -158.115 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: 7 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1666.768140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.768140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.768140 (E_RNA) where: Base-Base interactions energy: -1164.947 where: short stacking energy: -497.925 Base-Backbone interact. energy: -0.630 local terms energy: -501.191275 where: bonds (distance) C4'-P energy: -89.876 bonds (distance) P-C4' energy: -80.713 flat angles C4'-P-C4' energy: -108.098 flat angles P-C4'-P energy: -70.741 tors. eta vs tors. theta energy: -151.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1634.816862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.816862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.816862 (E_RNA) where: Base-Base interactions energy: -1146.145 where: short stacking energy: -483.580 Base-Backbone interact. energy: -1.017 local terms energy: -487.654606 where: bonds (distance) C4'-P energy: -97.855 bonds (distance) P-C4' energy: -89.873 flat angles C4'-P-C4' energy: -96.078 flat angles P-C4'-P energy: -69.573 tors. eta vs tors. theta energy: -134.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1518.422396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.422396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.422396 (E_RNA) where: Base-Base interactions energy: -1052.036 where: short stacking energy: -442.018 Base-Backbone interact. energy: -1.982 local terms energy: -464.405305 where: bonds (distance) C4'-P energy: -91.422 bonds (distance) P-C4' energy: -94.859 flat angles C4'-P-C4' energy: -98.308 flat angles P-C4'-P energy: -60.416 tors. eta vs tors. theta energy: -119.401 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: 418 Temperature: 1.100000 Total energy: -1414.673032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.673032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.673032 (E_RNA) where: Base-Base interactions energy: -1006.896 where: short stacking energy: -405.502 Base-Backbone interact. energy: 1.672 local terms energy: -409.448830 where: bonds (distance) C4'-P energy: -67.210 bonds (distance) P-C4' energy: -92.109 flat angles C4'-P-C4' energy: -98.001 flat angles P-C4'-P energy: -57.772 tors. eta vs tors. theta energy: -94.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1313.592214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.592214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.592214 (E_RNA) where: Base-Base interactions energy: -895.544 where: short stacking energy: -366.998 Base-Backbone interact. energy: 0.465 local terms energy: -418.512769 where: bonds (distance) C4'-P energy: -88.834 bonds (distance) P-C4' energy: -68.430 flat angles C4'-P-C4' energy: -86.706 flat angles P-C4'-P energy: -69.755 tors. eta vs tors. theta energy: -104.789 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: 7, replica: 5 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -990.266123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.266123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.266123 (E_RNA) where: Base-Base interactions energy: -621.817 where: short stacking energy: -307.251 Base-Backbone interact. energy: -1.779 local terms energy: -366.670979 where: bonds (distance) C4'-P energy: -74.541 bonds (distance) P-C4' energy: -84.809 flat angles C4'-P-C4' energy: -76.480 flat angles P-C4'-P energy: -53.148 tors. eta vs tors. theta energy: -77.694 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: 9 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -811.955524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.955524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.955524 (E_RNA) where: Base-Base interactions energy: -481.934 where: short stacking energy: -214.475 Base-Backbone interact. energy: 0.335 local terms energy: -330.356560 where: bonds (distance) C4'-P energy: -82.422 bonds (distance) P-C4' energy: -71.051 flat angles C4'-P-C4' energy: -84.650 flat angles P-C4'-P energy: -47.140 tors. eta vs tors. theta energy: -45.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -727.090153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.090153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.090153 (E_RNA) where: Base-Base interactions energy: -391.751 where: short stacking energy: -206.863 Base-Backbone interact. energy: -2.551 local terms energy: -332.788137 where: bonds (distance) C4'-P energy: -94.233 bonds (distance) P-C4' energy: -95.801 flat angles C4'-P-C4' energy: -64.470 flat angles P-C4'-P energy: -46.242 tors. eta vs tors. theta energy: -32.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -547.751778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.751778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.751778 (E_RNA) where: Base-Base interactions energy: -269.204 where: short stacking energy: -154.525 Base-Backbone interact. energy: -1.278 local terms energy: -277.270134 where: bonds (distance) C4'-P energy: -79.282 bonds (distance) P-C4' energy: -71.718 flat angles C4'-P-C4' energy: -72.111 flat angles P-C4'-P energy: -46.475 tors. eta vs tors. theta energy: -7.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1715.004715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.004715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.004715 (E_RNA) where: Base-Base interactions energy: -1159.815 where: short stacking energy: -510.660 Base-Backbone interact. energy: -3.415 local terms energy: -551.775006 where: bonds (distance) C4'-P energy: -98.215 bonds (distance) P-C4' energy: -98.580 flat angles C4'-P-C4' energy: -115.157 flat angles P-C4'-P energy: -82.022 tors. eta vs tors. theta energy: -157.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1654.706332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.706332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.706332 (E_RNA) where: Base-Base interactions energy: -1149.846 where: short stacking energy: -465.496 Base-Backbone interact. energy: -1.334 local terms energy: -503.525921 where: bonds (distance) C4'-P energy: -91.159 bonds (distance) P-C4' energy: -85.969 flat angles C4'-P-C4' energy: -107.397 flat angles P-C4'-P energy: -81.268 tors. eta vs tors. theta energy: -137.733 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: 7 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1640.144348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.144348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.144348 (E_RNA) where: Base-Base interactions energy: -1128.096 where: short stacking energy: -511.008 Base-Backbone interact. energy: -1.449 local terms energy: -510.599381 where: bonds (distance) C4'-P energy: -88.026 bonds (distance) P-C4' energy: -90.571 flat angles C4'-P-C4' energy: -103.193 flat angles P-C4'-P energy: -78.680 tors. eta vs tors. theta energy: -150.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1502.050782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.050782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.050782 (E_RNA) where: Base-Base interactions energy: -1026.709 where: short stacking energy: -434.208 Base-Backbone interact. energy: -0.463 local terms energy: -474.878188 where: bonds (distance) C4'-P energy: -96.546 bonds (distance) P-C4' energy: -95.066 flat angles C4'-P-C4' energy: -94.680 flat angles P-C4'-P energy: -60.174 tors. eta vs tors. theta energy: -128.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1407.552599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.552599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.552599 (E_RNA) where: Base-Base interactions energy: -953.186 where: short stacking energy: -373.914 Base-Backbone interact. energy: -3.538 local terms energy: -450.828455 where: bonds (distance) C4'-P energy: -89.934 bonds (distance) P-C4' energy: -87.117 flat angles C4'-P-C4' energy: -103.604 flat angles P-C4'-P energy: -65.957 tors. eta vs tors. theta energy: -104.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1276.333346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.333346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.333346 (E_RNA) where: Base-Base interactions energy: -881.357 where: short stacking energy: -373.582 Base-Backbone interact. energy: -4.761 local terms energy: -390.216240 where: bonds (distance) C4'-P energy: -72.064 bonds (distance) P-C4' energy: -81.153 flat angles C4'-P-C4' energy: -82.487 flat angles P-C4'-P energy: -59.666 tors. eta vs tors. theta energy: -94.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1008.445386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.445386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.445386 (E_RNA) where: Base-Base interactions energy: -653.109 where: short stacking energy: -282.284 Base-Backbone interact. energy: 0.656 local terms energy: -355.992369 where: bonds (distance) C4'-P energy: -74.388 bonds (distance) P-C4' energy: -83.309 flat angles C4'-P-C4' energy: -87.722 flat angles P-C4'-P energy: -56.870 tors. eta vs tors. theta energy: -53.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -865.769688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.769688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.769688 (E_RNA) where: Base-Base interactions energy: -505.731 where: short stacking energy: -255.017 Base-Backbone interact. energy: -1.696 local terms energy: -358.342812 where: bonds (distance) C4'-P energy: -79.885 bonds (distance) P-C4' energy: -86.547 flat angles C4'-P-C4' energy: -73.074 flat angles P-C4'-P energy: -63.738 tors. eta vs tors. theta energy: -55.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -722.257513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.257513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.257513 (E_RNA) where: Base-Base interactions energy: -437.996 where: short stacking energy: -220.550 Base-Backbone interact. energy: 3.913 local terms energy: -288.174587 where: bonds (distance) C4'-P energy: -78.657 bonds (distance) P-C4' energy: -87.088 flat angles C4'-P-C4' energy: -57.926 flat angles P-C4'-P energy: -40.149 tors. eta vs tors. theta energy: -24.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -562.836302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.836302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.836302 (E_RNA) where: Base-Base interactions energy: -303.238 where: short stacking energy: -177.743 Base-Backbone interact. energy: 3.991 local terms energy: -263.589199 where: bonds (distance) C4'-P energy: -64.941 bonds (distance) P-C4' energy: -70.336 flat angles C4'-P-C4' energy: -85.232 flat angles P-C4'-P energy: -35.338 tors. eta vs tors. theta energy: -7.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1727.266947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.266947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.266947 (E_RNA) where: Base-Base interactions energy: -1189.099 where: short stacking energy: -537.564 Base-Backbone interact. energy: -0.783 local terms energy: -537.384830 where: bonds (distance) C4'-P energy: -96.550 bonds (distance) P-C4' energy: -95.753 flat angles C4'-P-C4' energy: -111.032 flat angles P-C4'-P energy: -73.977 tors. eta vs tors. theta energy: -160.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1665.779122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.779122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.779122 (E_RNA) where: Base-Base interactions energy: -1147.321 where: short stacking energy: -492.622 Base-Backbone interact. energy: -1.251 local terms energy: -517.207894 where: bonds (distance) C4'-P energy: -90.721 bonds (distance) P-C4' energy: -95.111 flat angles C4'-P-C4' energy: -112.807 flat angles P-C4'-P energy: -72.915 tors. eta vs tors. theta energy: -145.654 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: 7 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1640.122196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.122196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.122196 (E_RNA) where: Base-Base interactions energy: -1134.967 where: short stacking energy: -485.030 Base-Backbone interact. energy: -2.388 local terms energy: -502.766765 where: bonds (distance) C4'-P energy: -102.541 bonds (distance) P-C4' energy: -94.835 flat angles C4'-P-C4' energy: -96.014 flat angles P-C4'-P energy: -66.986 tors. eta vs tors. theta energy: -142.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1525.184884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.184884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.184884 (E_RNA) where: Base-Base interactions energy: -1046.106 where: short stacking energy: -429.639 Base-Backbone interact. energy: 0.619 local terms energy: -479.697187 where: bonds (distance) C4'-P energy: -92.281 bonds (distance) P-C4' energy: -94.042 flat angles C4'-P-C4' energy: -97.672 flat angles P-C4'-P energy: -73.373 tors. eta vs tors. theta energy: -122.329 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: 10 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1453.706600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.706600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.706600 (E_RNA) where: Base-Base interactions energy: -1002.933 where: short stacking energy: -416.512 Base-Backbone interact. energy: -3.478 local terms energy: -447.295650 where: bonds (distance) C4'-P energy: -89.769 bonds (distance) P-C4' energy: -75.406 flat angles C4'-P-C4' energy: -102.661 flat angles P-C4'-P energy: -55.137 tors. eta vs tors. theta energy: -124.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1292.837638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.837638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.837638 (E_RNA) where: Base-Base interactions energy: -869.652 where: short stacking energy: -374.617 Base-Backbone interact. energy: -1.265 local terms energy: -421.920641 where: bonds (distance) C4'-P energy: -80.440 bonds (distance) P-C4' energy: -82.946 flat angles C4'-P-C4' energy: -94.533 flat angles P-C4'-P energy: -59.236 tors. eta vs tors. theta energy: -104.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -993.626764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.626764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.626764 (E_RNA) where: Base-Base interactions energy: -632.167 where: short stacking energy: -293.864 Base-Backbone interact. energy: -0.375 local terms energy: -361.084626 where: bonds (distance) C4'-P energy: -76.553 bonds (distance) P-C4' energy: -82.551 flat angles C4'-P-C4' energy: -79.657 flat angles P-C4'-P energy: -59.196 tors. eta vs tors. theta energy: -63.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -867.872585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.872585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.872585 (E_RNA) where: Base-Base interactions energy: -546.314 where: short stacking energy: -260.145 Base-Backbone interact. energy: -1.545 local terms energy: -320.013316 where: bonds (distance) C4'-P energy: -82.394 bonds (distance) P-C4' energy: -64.824 flat angles C4'-P-C4' energy: -76.018 flat angles P-C4'-P energy: -42.362 tors. eta vs tors. theta energy: -54.416 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: 1 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -850.236274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.236274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.236274 (E_RNA) where: Base-Base interactions energy: -522.649 where: short stacking energy: -258.683 Base-Backbone interact. energy: 0.295 local terms energy: -327.882481 where: bonds (distance) C4'-P energy: -86.883 bonds (distance) P-C4' energy: -81.077 flat angles C4'-P-C4' energy: -59.746 flat angles P-C4'-P energy: -44.709 tors. eta vs tors. theta energy: -55.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -573.556414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.556414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.556414 (E_RNA) where: Base-Base interactions energy: -286.426 where: short stacking energy: -148.063 Base-Backbone interact. energy: -2.839 local terms energy: -284.290911 where: bonds (distance) C4'-P energy: -76.679 bonds (distance) P-C4' energy: -90.580 flat angles C4'-P-C4' energy: -60.594 flat angles P-C4'-P energy: -47.465 tors. eta vs tors. theta energy: -8.973 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: 6 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1733.978681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.978681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.978681 (E_RNA) where: Base-Base interactions energy: -1209.971 where: short stacking energy: -537.070 Base-Backbone interact. energy: -1.345 local terms energy: -522.662867 where: bonds (distance) C4'-P energy: -88.066 bonds (distance) P-C4' energy: -89.987 flat angles C4'-P-C4' energy: -111.859 flat angles P-C4'-P energy: -76.068 tors. eta vs tors. theta energy: -156.682 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: 8 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1692.294365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.294365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.294365 (E_RNA) where: Base-Base interactions energy: -1172.320 where: short stacking energy: -514.751 Base-Backbone interact. energy: -0.079 local terms energy: -519.896023 where: bonds (distance) C4'-P energy: -92.687 bonds (distance) P-C4' energy: -99.201 flat angles C4'-P-C4' energy: -110.057 flat angles P-C4'-P energy: -75.334 tors. eta vs tors. theta energy: -142.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1659.793547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.793547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.793547 (E_RNA) where: Base-Base interactions energy: -1138.925 where: short stacking energy: -465.152 Base-Backbone interact. energy: -3.266 local terms energy: -517.602284 where: bonds (distance) C4'-P energy: -98.818 bonds (distance) P-C4' energy: -100.119 flat angles C4'-P-C4' energy: -107.334 flat angles P-C4'-P energy: -66.356 tors. eta vs tors. theta energy: -144.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1500.835426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.835426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.835426 (E_RNA) where: Base-Base interactions energy: -1030.396 where: short stacking energy: -429.967 Base-Backbone interact. energy: -1.308 local terms energy: -469.131794 where: bonds (distance) C4'-P energy: -88.979 bonds (distance) P-C4' energy: -88.497 flat angles C4'-P-C4' energy: -102.672 flat angles P-C4'-P energy: -62.784 tors. eta vs tors. theta energy: -126.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1428.261986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.261986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.261986 (E_RNA) where: Base-Base interactions energy: -977.727 where: short stacking energy: -409.942 Base-Backbone interact. energy: -1.334 local terms energy: -449.200915 where: bonds (distance) C4'-P energy: -84.346 bonds (distance) P-C4' energy: -93.786 flat angles C4'-P-C4' energy: -93.920 flat angles P-C4'-P energy: -56.839 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: 6, replica: 4 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1303.380759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.380759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.380759 (E_RNA) where: Base-Base interactions energy: -891.111 where: short stacking energy: -388.713 Base-Backbone interact. energy: -1.392 local terms energy: -410.877596 where: bonds (distance) C4'-P energy: -82.553 bonds (distance) P-C4' energy: -76.607 flat angles C4'-P-C4' energy: -80.563 flat angles P-C4'-P energy: -72.983 tors. eta vs tors. theta energy: -98.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1003.046183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.046183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.046183 (E_RNA) where: Base-Base interactions energy: -647.546 where: short stacking energy: -304.039 Base-Backbone interact. energy: 0.447 local terms energy: -355.947841 where: bonds (distance) C4'-P energy: -80.877 bonds (distance) P-C4' energy: -77.233 flat angles C4'-P-C4' energy: -81.043 flat angles P-C4'-P energy: -56.404 tors. eta vs tors. theta energy: -60.390 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: 8, replica: 1 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -910.179109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.179109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.179109 (E_RNA) where: Base-Base interactions energy: -552.606 where: short stacking energy: -257.035 Base-Backbone interact. energy: -3.719 local terms energy: -353.853543 where: bonds (distance) C4'-P energy: -93.135 bonds (distance) P-C4' energy: -82.110 flat angles C4'-P-C4' energy: -81.040 flat angles P-C4'-P energy: -57.368 tors. eta vs tors. theta energy: -40.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -766.998100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.998100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.998100 (E_RNA) where: Base-Base interactions energy: -466.258 where: short stacking energy: -195.311 Base-Backbone interact. energy: -3.398 local terms energy: -297.342401 where: bonds (distance) C4'-P energy: -70.856 bonds (distance) P-C4' energy: -82.548 flat angles C4'-P-C4' energy: -75.265 flat angles P-C4'-P energy: -42.602 tors. eta vs tors. theta energy: -26.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -503.985622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.985622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.985622 (E_RNA) where: Base-Base interactions energy: -257.640 where: short stacking energy: -149.404 Base-Backbone interact. energy: 1.283 local terms energy: -247.629585 where: bonds (distance) C4'-P energy: -71.536 bonds (distance) P-C4' energy: -75.360 flat angles C4'-P-C4' energy: -58.134 flat angles P-C4'-P energy: -44.352 tors. eta vs tors. theta energy: 1.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1736.414555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.414555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.414555 (E_RNA) where: Base-Base interactions energy: -1201.713 where: short stacking energy: -530.883 Base-Backbone interact. energy: -0.550 local terms energy: -534.152324 where: bonds (distance) C4'-P energy: -97.178 bonds (distance) P-C4' energy: -93.124 flat angles C4'-P-C4' energy: -110.427 flat angles P-C4'-P energy: -80.060 tors. eta vs tors. theta energy: -153.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1659.179618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.179618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.179618 (E_RNA) where: Base-Base interactions energy: -1165.654 where: short stacking energy: -500.921 Base-Backbone interact. energy: 2.609 local terms energy: -496.134883 where: bonds (distance) C4'-P energy: -78.271 bonds (distance) P-C4' energy: -99.915 flat angles C4'-P-C4' energy: -98.675 flat angles P-C4'-P energy: -83.706 tors. eta vs tors. theta energy: -135.568 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: 7 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1667.155361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.155361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.155361 (E_RNA) where: Base-Base interactions energy: -1154.513 where: short stacking energy: -481.227 Base-Backbone interact. energy: -1.498 local terms energy: -511.144519 where: bonds (distance) C4'-P energy: -89.105 bonds (distance) P-C4' energy: -99.124 flat angles C4'-P-C4' energy: -113.662 flat angles P-C4'-P energy: -74.528 tors. eta vs tors. theta energy: -134.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1502.310942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.310942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.310942 (E_RNA) where: Base-Base interactions energy: -1020.675 where: short stacking energy: -450.814 Base-Backbone interact. energy: -2.401 local terms energy: -479.234366 where: bonds (distance) C4'-P energy: -95.349 bonds (distance) P-C4' energy: -84.834 flat angles C4'-P-C4' energy: -108.274 flat angles P-C4'-P energy: -61.039 tors. eta vs tors. theta energy: -129.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1452.435621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.435621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.435621 (E_RNA) where: Base-Base interactions energy: -994.324 where: short stacking energy: -393.421 Base-Backbone interact. energy: 0.249 local terms energy: -458.360224 where: bonds (distance) C4'-P energy: -84.173 bonds (distance) P-C4' energy: -89.875 flat angles C4'-P-C4' energy: -97.865 flat angles P-C4'-P energy: -72.763 tors. eta vs tors. theta energy: -113.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1311.536534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.536534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.536534 (E_RNA) where: Base-Base interactions energy: -888.924 where: short stacking energy: -385.566 Base-Backbone interact. energy: 1.471 local terms energy: -424.083935 where: bonds (distance) C4'-P energy: -68.109 bonds (distance) P-C4' energy: -82.384 flat angles C4'-P-C4' energy: -100.789 flat angles P-C4'-P energy: -75.145 tors. eta vs tors. theta energy: -97.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1028.931617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.931617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.931617 (E_RNA) where: Base-Base interactions energy: -662.828 where: short stacking energy: -293.238 Base-Backbone interact. energy: 2.196 local terms energy: -368.298991 where: bonds (distance) C4'-P energy: -87.897 bonds (distance) P-C4' energy: -85.600 flat angles C4'-P-C4' energy: -95.930 flat angles P-C4'-P energy: -52.608 tors. eta vs tors. theta energy: -46.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -891.509008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.509008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.509008 (E_RNA) where: Base-Base interactions energy: -547.887 where: short stacking energy: -245.826 Base-Backbone interact. energy: -2.226 local terms energy: -341.395707 where: bonds (distance) C4'-P energy: -85.773 bonds (distance) P-C4' energy: -91.498 flat angles C4'-P-C4' energy: -91.196 flat angles P-C4'-P energy: -41.967 tors. eta vs tors. theta energy: -30.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -743.000910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.000910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.000910 (E_RNA) where: Base-Base interactions energy: -409.648 where: short stacking energy: -212.327 Base-Backbone interact. energy: -2.800 local terms energy: -330.552740 where: bonds (distance) C4'-P energy: -84.217 bonds (distance) P-C4' energy: -86.584 flat angles C4'-P-C4' energy: -83.959 flat angles P-C4'-P energy: -54.264 tors. eta vs tors. theta energy: -21.529 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: 3 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -549.393446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.393446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.393446 (E_RNA) where: Base-Base interactions energy: -276.511 where: short stacking energy: -156.207 Base-Backbone interact. energy: 0.456 local terms energy: -273.338989 where: bonds (distance) C4'-P energy: -88.397 bonds (distance) P-C4' energy: -92.704 flat angles C4'-P-C4' energy: -53.682 flat angles P-C4'-P energy: -36.299 tors. eta vs tors. theta energy: -2.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1743.118988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.118988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.118988 (E_RNA) where: Base-Base interactions energy: -1195.793 where: short stacking energy: -527.951 Base-Backbone interact. energy: -1.496 local terms energy: -545.829924 where: bonds (distance) C4'-P energy: -98.520 bonds (distance) P-C4' energy: -93.739 flat angles C4'-P-C4' energy: -114.550 flat angles P-C4'-P energy: -80.565 tors. eta vs tors. theta energy: -158.456 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: 7 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1689.697230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.697230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.697230 (E_RNA) where: Base-Base interactions energy: -1161.252 where: short stacking energy: -496.125 Base-Backbone interact. energy: -3.923 local terms energy: -524.522388 where: bonds (distance) C4'-P energy: -84.688 bonds (distance) P-C4' energy: -94.716 flat angles C4'-P-C4' energy: -111.708 flat angles P-C4'-P energy: -79.726 tors. eta vs tors. theta energy: -153.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1640.670686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.670686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.670686 (E_RNA) where: Base-Base interactions energy: -1135.370 where: short stacking energy: -502.126 Base-Backbone interact. energy: -1.947 local terms energy: -503.353874 where: bonds (distance) C4'-P energy: -97.344 bonds (distance) P-C4' energy: -79.037 flat angles C4'-P-C4' energy: -113.778 flat angles P-C4'-P energy: -63.139 tors. eta vs tors. theta energy: -150.056 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: 2 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1496.335223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.335223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.335223 (E_RNA) where: Base-Base interactions energy: -1034.361 where: short stacking energy: -450.885 Base-Backbone interact. energy: -2.344 local terms energy: -459.630856 where: bonds (distance) C4'-P energy: -74.199 bonds (distance) P-C4' energy: -85.978 flat angles C4'-P-C4' energy: -101.645 flat angles P-C4'-P energy: -65.110 tors. eta vs tors. theta energy: -132.700 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: 10 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1437.476533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.476533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.476533 (E_RNA) where: Base-Base interactions energy: -1012.400 where: short stacking energy: -408.446 Base-Backbone interact. energy: -2.126 local terms energy: -422.950617 where: bonds (distance) C4'-P energy: -84.513 bonds (distance) P-C4' energy: -83.556 flat angles C4'-P-C4' energy: -90.649 flat angles P-C4'-P energy: -64.878 tors. eta vs tors. theta energy: -99.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1267.536943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.536943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.536943 (E_RNA) where: Base-Base interactions energy: -860.712 where: short stacking energy: -371.843 Base-Backbone interact. energy: 1.171 local terms energy: -407.995434 where: bonds (distance) C4'-P energy: -91.726 bonds (distance) P-C4' energy: -70.516 flat angles C4'-P-C4' energy: -97.608 flat angles P-C4'-P energy: -53.053 tors. eta vs tors. theta energy: -95.093 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: 5 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1014.488263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.488263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.488263 (E_RNA) where: Base-Base interactions energy: -656.786 where: short stacking energy: -300.073 Base-Backbone interact. energy: -0.675 local terms energy: -357.026730 where: bonds (distance) C4'-P energy: -82.693 bonds (distance) P-C4' energy: -82.154 flat angles C4'-P-C4' energy: -84.192 flat angles P-C4'-P energy: -54.827 tors. eta vs tors. theta energy: -53.160 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: 423 Temperature: 1.250000 Total energy: -897.058914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.058914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.058914 (E_RNA) where: Base-Base interactions energy: -558.964 where: short stacking energy: -236.798 Base-Backbone interact. energy: -2.261 local terms energy: -335.833807 where: bonds (distance) C4'-P energy: -82.299 bonds (distance) P-C4' energy: -83.238 flat angles C4'-P-C4' energy: -82.759 flat angles P-C4'-P energy: -46.307 tors. eta vs tors. theta energy: -41.230 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: 9, replica: 9 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -762.151870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.151870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.151870 (E_RNA) where: Base-Base interactions energy: -443.500 where: short stacking energy: -222.905 Base-Backbone interact. energy: -2.434 local terms energy: -316.218582 where: bonds (distance) C4'-P energy: -82.969 bonds (distance) P-C4' energy: -71.169 flat angles C4'-P-C4' energy: -87.865 flat angles P-C4'-P energy: -45.026 tors. eta vs tors. theta energy: -29.189 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: 3 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -543.082993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.082993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.082993 (E_RNA) where: Base-Base interactions energy: -283.101 where: short stacking energy: -174.425 Base-Backbone interact. energy: -2.148 local terms energy: -257.834097 where: bonds (distance) C4'-P energy: -70.129 bonds (distance) P-C4' energy: -73.582 flat angles C4'-P-C4' energy: -63.681 flat angles P-C4'-P energy: -31.688 tors. eta vs tors. theta energy: -18.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1761.420426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.420426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.420426 (E_RNA) where: Base-Base interactions energy: -1202.792 where: short stacking energy: -532.721 Base-Backbone interact. energy: -3.783 local terms energy: -554.845509 where: bonds (distance) C4'-P energy: -87.783 bonds (distance) P-C4' energy: -104.270 flat angles C4'-P-C4' energy: -118.976 flat angles P-C4'-P energy: -76.310 tors. eta vs tors. theta energy: -167.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1696.231840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.231840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.231840 (E_RNA) where: Base-Base interactions energy: -1182.470 where: short stacking energy: -509.650 Base-Backbone interact. energy: -2.449 local terms energy: -511.312754 where: bonds (distance) C4'-P energy: -87.602 bonds (distance) P-C4' energy: -96.488 flat angles C4'-P-C4' energy: -107.904 flat angles P-C4'-P energy: -74.637 tors. eta vs tors. theta energy: -144.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1625.179577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.179577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.179577 (E_RNA) where: Base-Base interactions energy: -1121.057 where: short stacking energy: -486.142 Base-Backbone interact. energy: 3.976 local terms energy: -508.097872 where: bonds (distance) C4'-P energy: -103.661 bonds (distance) P-C4' energy: -101.216 flat angles C4'-P-C4' energy: -103.144 flat angles P-C4'-P energy: -64.016 tors. eta vs tors. theta energy: -136.061 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: 2 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1509.941133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.941133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.941133 (E_RNA) where: Base-Base interactions energy: -1031.488 where: short stacking energy: -440.039 Base-Backbone interact. energy: -2.072 local terms energy: -476.380459 where: bonds (distance) C4'-P energy: -83.643 bonds (distance) P-C4' energy: -105.138 flat angles C4'-P-C4' energy: -102.618 flat angles P-C4'-P energy: -63.040 tors. eta vs tors. theta energy: -121.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1463.264330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.264330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.264330 (E_RNA) where: Base-Base interactions energy: -1039.788 where: short stacking energy: -417.509 Base-Backbone interact. energy: 3.579 local terms energy: -427.055753 where: bonds (distance) C4'-P energy: -66.113 bonds (distance) P-C4' energy: -83.349 flat angles C4'-P-C4' energy: -95.220 flat angles P-C4'-P energy: -49.884 tors. eta vs tors. theta energy: -132.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1227.116851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.116851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.116851 (E_RNA) where: Base-Base interactions energy: -807.324 where: short stacking energy: -369.622 Base-Backbone interact. energy: -1.885 local terms energy: -417.907432 where: bonds (distance) C4'-P energy: -76.640 bonds (distance) P-C4' energy: -92.762 flat angles C4'-P-C4' energy: -105.587 flat angles P-C4'-P energy: -55.589 tors. eta vs tors. theta energy: -87.329 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: 7, replica: 5 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1005.987338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.987338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.987338 (E_RNA) where: Base-Base interactions energy: -640.849 where: short stacking energy: -290.684 Base-Backbone interact. energy: -2.636 local terms energy: -362.502501 where: bonds (distance) C4'-P energy: -84.785 bonds (distance) P-C4' energy: -78.522 flat angles C4'-P-C4' energy: -84.345 flat angles P-C4'-P energy: -59.554 tors. eta vs tors. theta energy: -55.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -883.593570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.593570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.593570 (E_RNA) where: Base-Base interactions energy: -558.671 where: short stacking energy: -267.309 Base-Backbone interact. energy: 3.792 local terms energy: -328.715124 where: bonds (distance) C4'-P energy: -73.768 bonds (distance) P-C4' energy: -74.613 flat angles C4'-P-C4' energy: -86.534 flat angles P-C4'-P energy: -47.721 tors. eta vs tors. theta energy: -46.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -765.987400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.987400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.987400 (E_RNA) where: Base-Base interactions energy: -437.502 where: short stacking energy: -217.886 Base-Backbone interact. energy: -2.307 local terms energy: -326.178821 where: bonds (distance) C4'-P energy: -79.462 bonds (distance) P-C4' energy: -85.738 flat angles C4'-P-C4' energy: -81.684 flat angles P-C4'-P energy: -40.866 tors. eta vs tors. theta energy: -38.429 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: 3 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -511.363352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.363352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.363352 (E_RNA) where: Base-Base interactions energy: -264.666 where: short stacking energy: -159.398 Base-Backbone interact. energy: -1.714 local terms energy: -244.983935 where: bonds (distance) C4'-P energy: -71.664 bonds (distance) P-C4' energy: -80.762 flat angles C4'-P-C4' energy: -61.489 flat angles P-C4'-P energy: -44.830 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: 6 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1757.640215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.640215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.640215 (E_RNA) where: Base-Base interactions energy: -1209.802 where: short stacking energy: -535.502 Base-Backbone interact. energy: -2.165 local terms energy: -545.673777 where: bonds (distance) C4'-P energy: -102.565 bonds (distance) P-C4' energy: -86.429 flat angles C4'-P-C4' energy: -113.414 flat angles P-C4'-P energy: -80.192 tors. eta vs tors. theta energy: -163.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1697.027490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.027490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.027490 (E_RNA) where: Base-Base interactions energy: -1171.165 where: short stacking energy: -485.412 Base-Backbone interact. energy: -2.067 local terms energy: -523.795837 where: bonds (distance) C4'-P energy: -100.955 bonds (distance) P-C4' energy: -94.971 flat angles C4'-P-C4' energy: -110.667 flat angles P-C4'-P energy: -67.369 tors. eta vs tors. theta energy: -149.834 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: 8 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1615.273537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.273537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.273537 (E_RNA) where: Base-Base interactions energy: -1126.728 where: short stacking energy: -482.838 Base-Backbone interact. energy: -1.876 local terms energy: -486.669995 where: bonds (distance) C4'-P energy: -80.796 bonds (distance) P-C4' energy: -93.275 flat angles C4'-P-C4' energy: -110.199 flat angles P-C4'-P energy: -60.163 tors. eta vs tors. theta energy: -142.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1539.035499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.035499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.035499 (E_RNA) where: Base-Base interactions energy: -1053.810 where: short stacking energy: -454.374 Base-Backbone interact. energy: -2.249 local terms energy: -482.976661 where: bonds (distance) C4'-P energy: -82.898 bonds (distance) P-C4' energy: -101.636 flat angles C4'-P-C4' energy: -92.268 flat angles P-C4'-P energy: -74.536 tors. eta vs tors. theta energy: -131.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1437.695015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.695015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.695015 (E_RNA) where: Base-Base interactions energy: -994.348 where: short stacking energy: -408.180 Base-Backbone interact. energy: -1.808 local terms energy: -441.538242 where: bonds (distance) C4'-P energy: -83.995 bonds (distance) P-C4' energy: -80.073 flat angles C4'-P-C4' energy: -101.246 flat angles P-C4'-P energy: -65.509 tors. eta vs tors. theta energy: -110.716 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: 6, replica: 4 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1254.552971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.552971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.552971 (E_RNA) where: Base-Base interactions energy: -827.423 where: short stacking energy: -352.332 Base-Backbone interact. energy: -0.456 local terms energy: -426.674192 where: bonds (distance) C4'-P energy: -93.208 bonds (distance) P-C4' energy: -98.188 flat angles C4'-P-C4' energy: -82.144 flat angles P-C4'-P energy: -65.614 tors. eta vs tors. theta energy: -87.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1050.848065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.848065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.848065 (E_RNA) where: Base-Base interactions energy: -684.915 where: short stacking energy: -320.269 Base-Backbone interact. energy: -2.049 local terms energy: -363.883722 where: bonds (distance) C4'-P energy: -78.380 bonds (distance) P-C4' energy: -80.694 flat angles C4'-P-C4' energy: -90.137 flat angles P-C4'-P energy: -39.387 tors. eta vs tors. theta energy: -75.286 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: 8, replica: 1 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -938.231577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.231577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.231577 (E_RNA) where: Base-Base interactions energy: -589.725 where: short stacking energy: -285.018 Base-Backbone interact. energy: 0.361 local terms energy: -348.868379 where: bonds (distance) C4'-P energy: -66.037 bonds (distance) P-C4' energy: -86.638 flat angles C4'-P-C4' energy: -82.446 flat angles P-C4'-P energy: -51.093 tors. eta vs tors. theta energy: -62.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -720.708041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.708041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.708041 (E_RNA) where: Base-Base interactions energy: -421.764 where: short stacking energy: -223.797 Base-Backbone interact. energy: -0.124 local terms energy: -298.819747 where: bonds (distance) C4'-P energy: -85.068 bonds (distance) P-C4' energy: -78.226 flat angles C4'-P-C4' energy: -71.589 flat angles P-C4'-P energy: -36.016 tors. eta vs tors. theta energy: -27.921 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: 10, replica: 3 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -507.489147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.489147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.489147 (E_RNA) where: Base-Base interactions energy: -239.780 where: short stacking energy: -137.910 Base-Backbone interact. energy: -0.950 local terms energy: -266.759399 where: bonds (distance) C4'-P energy: -90.555 bonds (distance) P-C4' energy: -73.442 flat angles C4'-P-C4' energy: -71.062 flat angles P-C4'-P energy: -30.679 tors. eta vs tors. theta energy: -1.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1735.267207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.267207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.267207 (E_RNA) where: Base-Base interactions energy: -1197.484 where: short stacking energy: -540.444 Base-Backbone interact. energy: -2.087 local terms energy: -535.695666 where: bonds (distance) C4'-P energy: -88.740 bonds (distance) P-C4' energy: -91.099 flat angles C4'-P-C4' energy: -113.560 flat angles P-C4'-P energy: -79.612 tors. eta vs tors. theta energy: -162.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1691.111969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.111969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.111969 (E_RNA) where: Base-Base interactions energy: -1167.166 where: short stacking energy: -506.450 Base-Backbone interact. energy: 1.940 local terms energy: -525.885651 where: bonds (distance) C4'-P energy: -98.301 bonds (distance) P-C4' energy: -95.072 flat angles C4'-P-C4' energy: -106.723 flat angles P-C4'-P energy: -75.465 tors. eta vs tors. theta energy: -150.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1617.276900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.276900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.276900 (E_RNA) where: Base-Base interactions energy: -1128.295 where: short stacking energy: -500.412 Base-Backbone interact. energy: 0.538 local terms energy: -489.520366 where: bonds (distance) C4'-P energy: -86.392 bonds (distance) P-C4' energy: -91.241 flat angles C4'-P-C4' energy: -106.507 flat angles P-C4'-P energy: -65.257 tors. eta vs tors. theta energy: -140.123 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: 2 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1534.641108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.641108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.641108 (E_RNA) where: Base-Base interactions energy: -1056.591 where: short stacking energy: -429.330 Base-Backbone interact. energy: -2.798 local terms energy: -475.252110 where: bonds (distance) C4'-P energy: -79.405 bonds (distance) P-C4' energy: -95.479 flat angles C4'-P-C4' energy: -108.276 flat angles P-C4'-P energy: -65.603 tors. eta vs tors. theta energy: -126.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1412.600896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.600896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.600896 (E_RNA) where: Base-Base interactions energy: -985.911 where: short stacking energy: -404.879 Base-Backbone interact. energy: 1.120 local terms energy: -427.809702 where: bonds (distance) C4'-P energy: -74.763 bonds (distance) P-C4' energy: -85.735 flat angles C4'-P-C4' energy: -92.373 flat angles P-C4'-P energy: -65.281 tors. eta vs tors. theta energy: -109.658 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: 4 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1326.878708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.878708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.878708 (E_RNA) where: Base-Base interactions energy: -909.142 where: short stacking energy: -388.775 Base-Backbone interact. energy: -2.932 local terms energy: -414.804887 where: bonds (distance) C4'-P energy: -66.571 bonds (distance) P-C4' energy: -90.270 flat angles C4'-P-C4' energy: -93.198 flat angles P-C4'-P energy: -52.734 tors. eta vs tors. theta energy: -112.032 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: 5 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1050.573067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.573067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.573067 (E_RNA) where: Base-Base interactions energy: -652.636 where: short stacking energy: -322.933 Base-Backbone interact. energy: -3.377 local terms energy: -394.559957 where: bonds (distance) C4'-P energy: -80.034 bonds (distance) P-C4' energy: -97.286 flat angles C4'-P-C4' energy: -86.741 flat angles P-C4'-P energy: -60.231 tors. eta vs tors. theta energy: -70.269 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: 8, replica: 1 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -916.723016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.723016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.723016 (E_RNA) where: Base-Base interactions energy: -576.400 where: short stacking energy: -253.954 Base-Backbone interact. energy: -1.680 local terms energy: -338.642211 where: bonds (distance) C4'-P energy: -80.291 bonds (distance) P-C4' energy: -77.686 flat angles C4'-P-C4' energy: -85.969 flat angles P-C4'-P energy: -48.723 tors. eta vs tors. theta energy: -45.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -741.690464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.690464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.690464 (E_RNA) where: Base-Base interactions energy: -445.011 where: short stacking energy: -217.641 Base-Backbone interact. energy: 4.453 local terms energy: -301.132161 where: bonds (distance) C4'-P energy: -75.790 bonds (distance) P-C4' energy: -85.549 flat angles C4'-P-C4' energy: -83.025 flat angles P-C4'-P energy: -28.678 tors. eta vs tors. theta energy: -28.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -534.899014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.899014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.899014 (E_RNA) where: Base-Base interactions energy: -279.013 where: short stacking energy: -173.437 Base-Backbone interact. energy: 2.191 local terms energy: -258.077398 where: bonds (distance) C4'-P energy: -85.452 bonds (distance) P-C4' energy: -73.115 flat angles C4'-P-C4' energy: -67.335 flat angles P-C4'-P energy: -35.826 tors. eta vs tors. theta energy: 3.651 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: 1, replica: 6 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1730.552474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.552474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.552474 (E_RNA) where: Base-Base interactions energy: -1185.783 where: short stacking energy: -535.596 Base-Backbone interact. energy: -1.764 local terms energy: -543.005881 where: bonds (distance) C4'-P energy: -89.292 bonds (distance) P-C4' energy: -103.210 flat angles C4'-P-C4' energy: -110.697 flat angles P-C4'-P energy: -78.416 tors. eta vs tors. theta energy: -161.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1717.175289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.175289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.175289 (E_RNA) where: Base-Base interactions energy: -1173.307 where: short stacking energy: -515.120 Base-Backbone interact. energy: -2.344 local terms energy: -541.524149 where: bonds (distance) C4'-P energy: -96.443 bonds (distance) P-C4' energy: -98.066 flat angles C4'-P-C4' energy: -112.132 flat angles P-C4'-P energy: -82.383 tors. eta vs tors. theta energy: -152.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1616.867770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.867770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.867770 (E_RNA) where: Base-Base interactions energy: -1128.155 where: short stacking energy: -495.489 Base-Backbone interact. energy: -1.234 local terms energy: -487.479073 where: bonds (distance) C4'-P energy: -81.549 bonds (distance) P-C4' energy: -105.232 flat angles C4'-P-C4' energy: -111.765 flat angles P-C4'-P energy: -52.993 tors. eta vs tors. theta energy: -135.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1542.278829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.278829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.278829 (E_RNA) where: Base-Base interactions energy: -1053.048 where: short stacking energy: -431.517 Base-Backbone interact. energy: -1.574 local terms energy: -487.656259 where: bonds (distance) C4'-P energy: -97.532 bonds (distance) P-C4' energy: -82.317 flat angles C4'-P-C4' energy: -98.020 flat angles P-C4'-P energy: -75.157 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: 5, replica: 10 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1408.505497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.505497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.505497 (E_RNA) where: Base-Base interactions energy: -965.443 where: short stacking energy: -367.726 Base-Backbone interact. energy: -2.440 local terms energy: -440.622603 where: bonds (distance) C4'-P energy: -79.499 bonds (distance) P-C4' energy: -93.772 flat angles C4'-P-C4' energy: -100.513 flat angles P-C4'-P energy: -68.516 tors. eta vs tors. theta energy: -98.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1297.332060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.332060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.332060 (E_RNA) where: Base-Base interactions energy: -888.377 where: short stacking energy: -389.784 Base-Backbone interact. energy: -2.044 local terms energy: -406.911338 where: bonds (distance) C4'-P energy: -73.485 bonds (distance) P-C4' energy: -77.248 flat angles C4'-P-C4' energy: -95.929 flat angles P-C4'-P energy: -64.998 tors. eta vs tors. theta energy: -95.250 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: 7, replica: 5 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1057.640177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.640177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.640177 (E_RNA) where: Base-Base interactions energy: -681.143 where: short stacking energy: -308.340 Base-Backbone interact. energy: 0.564 local terms energy: -377.061683 where: bonds (distance) C4'-P energy: -75.364 bonds (distance) P-C4' energy: -90.541 flat angles C4'-P-C4' energy: -76.630 flat angles P-C4'-P energy: -52.363 tors. eta vs tors. theta energy: -82.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -914.530877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.530877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.530877 (E_RNA) where: Base-Base interactions energy: -575.128 where: short stacking energy: -266.847 Base-Backbone interact. energy: -1.258 local terms energy: -338.144498 where: bonds (distance) C4'-P energy: -69.592 bonds (distance) P-C4' energy: -86.486 flat angles C4'-P-C4' energy: -82.098 flat angles P-C4'-P energy: -44.838 tors. eta vs tors. theta energy: -55.130 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: 9, replica: 9 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -781.112257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.112257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.112257 (E_RNA) where: Base-Base interactions energy: -485.459 where: short stacking energy: -209.132 Base-Backbone interact. energy: 2.161 local terms energy: -297.813485 where: bonds (distance) C4'-P energy: -82.776 bonds (distance) P-C4' energy: -67.907 flat angles C4'-P-C4' energy: -88.721 flat angles P-C4'-P energy: -40.422 tors. eta vs tors. theta energy: -17.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -551.505257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.505257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.505257 (E_RNA) where: Base-Base interactions energy: -279.046 where: short stacking energy: -144.350 Base-Backbone interact. energy: 1.808 local terms energy: -274.266356 where: bonds (distance) C4'-P energy: -82.751 bonds (distance) P-C4' energy: -80.437 flat angles C4'-P-C4' energy: -61.068 flat angles P-C4'-P energy: -45.059 tors. eta vs tors. theta energy: -4.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1737.687475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.687475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.687475 (E_RNA) where: Base-Base interactions energy: -1181.167 where: short stacking energy: -530.736 Base-Backbone interact. energy: -3.198 local terms energy: -553.322614 where: bonds (distance) C4'-P energy: -111.417 bonds (distance) P-C4' energy: -97.952 flat angles C4'-P-C4' energy: -118.238 flat angles P-C4'-P energy: -66.652 tors. eta vs tors. theta energy: -159.064 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: 7 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1700.085515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.085515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.085515 (E_RNA) where: Base-Base interactions energy: -1170.900 where: short stacking energy: -488.765 Base-Backbone interact. energy: -1.356 local terms energy: -527.829195 where: bonds (distance) C4'-P energy: -94.112 bonds (distance) P-C4' energy: -96.792 flat angles C4'-P-C4' energy: -114.048 flat angles P-C4'-P energy: -75.091 tors. eta vs tors. theta energy: -147.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1610.698505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.698505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.698505 (E_RNA) where: Base-Base interactions energy: -1116.416 where: short stacking energy: -459.556 Base-Backbone interact. energy: 0.941 local terms energy: -495.223554 where: bonds (distance) C4'-P energy: -80.619 bonds (distance) P-C4' energy: -92.823 flat angles C4'-P-C4' energy: -105.274 flat angles P-C4'-P energy: -72.074 tors. eta vs tors. theta energy: -144.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1546.302280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.302280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.302280 (E_RNA) where: Base-Base interactions energy: -1089.058 where: short stacking energy: -447.773 Base-Backbone interact. energy: -0.617 local terms energy: -456.626430 where: bonds (distance) C4'-P energy: -90.273 bonds (distance) P-C4' energy: -85.376 flat angles C4'-P-C4' energy: -103.989 flat angles P-C4'-P energy: -54.536 tors. eta vs tors. theta energy: -122.452 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: 10 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1416.280890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.280890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.280890 (E_RNA) where: Base-Base interactions energy: -983.208 where: short stacking energy: -383.271 Base-Backbone interact. energy: -1.398 local terms energy: -431.675584 where: bonds (distance) C4'-P energy: -67.879 bonds (distance) P-C4' energy: -85.880 flat angles C4'-P-C4' energy: -100.078 flat angles P-C4'-P energy: -64.263 tors. eta vs tors. theta energy: -113.576 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: 6, replica: 4 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1300.704724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.704724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.704724 (E_RNA) where: Base-Base interactions energy: -873.468 where: short stacking energy: -360.530 Base-Backbone interact. energy: 1.217 local terms energy: -428.453346 where: bonds (distance) C4'-P energy: -88.410 bonds (distance) P-C4' energy: -84.607 flat angles C4'-P-C4' energy: -105.883 flat angles P-C4'-P energy: -56.722 tors. eta vs tors. theta energy: -92.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1053.240614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.240614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.240614 (E_RNA) where: Base-Base interactions energy: -678.398 where: short stacking energy: -306.683 Base-Backbone interact. energy: 2.623 local terms energy: -377.466254 where: bonds (distance) C4'-P energy: -71.076 bonds (distance) P-C4' energy: -83.394 flat angles C4'-P-C4' energy: -89.014 flat angles P-C4'-P energy: -56.813 tors. eta vs tors. theta energy: -77.170 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: 8, replica: 1 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -950.156197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.156197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.156197 (E_RNA) where: Base-Base interactions energy: -570.306 where: short stacking energy: -272.835 Base-Backbone interact. energy: -3.849 local terms energy: -376.001065 where: bonds (distance) C4'-P energy: -96.304 bonds (distance) P-C4' energy: -88.932 flat angles C4'-P-C4' energy: -84.176 flat angles P-C4'-P energy: -44.992 tors. eta vs tors. theta energy: -61.598 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: 9, replica: 9 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -755.635281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.635281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.635281 (E_RNA) where: Base-Base interactions energy: -434.808 where: short stacking energy: -220.442 Base-Backbone interact. energy: 2.209 local terms energy: -323.036036 where: bonds (distance) C4'-P energy: -77.346 bonds (distance) P-C4' energy: -80.247 flat angles C4'-P-C4' energy: -85.419 flat angles P-C4'-P energy: -42.808 tors. eta vs tors. theta energy: -37.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -546.356878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.356878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.356878 (E_RNA) where: Base-Base interactions energy: -265.421 where: short stacking energy: -155.525 Base-Backbone interact. energy: -3.736 local terms energy: -277.200480 where: bonds (distance) C4'-P energy: -79.838 bonds (distance) P-C4' energy: -84.795 flat angles C4'-P-C4' energy: -66.467 flat angles P-C4'-P energy: -38.477 tors. eta vs tors. theta energy: -7.623 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: 1, replica: 6 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1756.672127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.672127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.672127 (E_RNA) where: Base-Base interactions energy: -1196.888 where: short stacking energy: -554.883 Base-Backbone interact. energy: -0.818 local terms energy: -558.966633 where: bonds (distance) C4'-P energy: -99.760 bonds (distance) P-C4' energy: -104.827 flat angles C4'-P-C4' energy: -115.258 flat angles P-C4'-P energy: -72.844 tors. eta vs tors. theta energy: -166.278 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: 7 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1726.944491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.944491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.944491 (E_RNA) where: Base-Base interactions energy: -1200.396 where: short stacking energy: -518.959 Base-Backbone interact. energy: -2.382 local terms energy: -524.167147 where: bonds (distance) C4'-P energy: -88.950 bonds (distance) P-C4' energy: -96.062 flat angles C4'-P-C4' energy: -117.464 flat angles P-C4'-P energy: -67.857 tors. eta vs tors. theta energy: -153.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1613.173609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.173609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.173609 (E_RNA) where: Base-Base interactions energy: -1112.487 where: short stacking energy: -471.931 Base-Backbone interact. energy: -0.864 local terms energy: -499.822451 where: bonds (distance) C4'-P energy: -83.778 bonds (distance) P-C4' energy: -91.901 flat angles C4'-P-C4' energy: -110.020 flat angles P-C4'-P energy: -78.899 tors. eta vs tors. theta energy: -135.225 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: 2 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1515.906414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.906414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.906414 (E_RNA) where: Base-Base interactions energy: -1040.886 where: short stacking energy: -442.563 Base-Backbone interact. energy: 4.641 local terms energy: -479.660999 where: bonds (distance) C4'-P energy: -89.739 bonds (distance) P-C4' energy: -91.189 flat angles C4'-P-C4' energy: -113.717 flat angles P-C4'-P energy: -61.427 tors. eta vs tors. theta energy: -123.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1434.254811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.254811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.254811 (E_RNA) where: Base-Base interactions energy: -1004.501 where: short stacking energy: -368.362 Base-Backbone interact. energy: -1.893 local terms energy: -427.860867 where: bonds (distance) C4'-P energy: -83.936 bonds (distance) P-C4' energy: -79.802 flat angles C4'-P-C4' energy: -92.236 flat angles P-C4'-P energy: -60.436 tors. eta vs tors. theta energy: -111.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1284.438533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.438533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.438533 (E_RNA) where: Base-Base interactions energy: -834.976 where: short stacking energy: -380.027 Base-Backbone interact. energy: -0.705 local terms energy: -448.757373 where: bonds (distance) C4'-P energy: -82.431 bonds (distance) P-C4' energy: -88.694 flat angles C4'-P-C4' energy: -109.095 flat angles P-C4'-P energy: -65.287 tors. eta vs tors. theta energy: -103.250 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: 7, replica: 5 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1019.551834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.551834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.551834 (E_RNA) where: Base-Base interactions energy: -656.984 where: short stacking energy: -307.477 Base-Backbone interact. energy: 2.495 local terms energy: -365.063083 where: bonds (distance) C4'-P energy: -69.903 bonds (distance) P-C4' energy: -84.264 flat angles C4'-P-C4' energy: -93.325 flat angles P-C4'-P energy: -58.003 tors. eta vs tors. theta energy: -59.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -884.854746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.854746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.854746 (E_RNA) where: Base-Base interactions energy: -546.127 where: short stacking energy: -271.613 Base-Backbone interact. energy: -1.161 local terms energy: -337.566701 where: bonds (distance) C4'-P energy: -75.351 bonds (distance) P-C4' energy: -80.111 flat angles C4'-P-C4' energy: -82.558 flat angles P-C4'-P energy: -62.736 tors. eta vs tors. theta energy: -36.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -845.742333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.742333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.742333 (E_RNA) where: Base-Base interactions energy: -517.484 where: short stacking energy: -256.228 Base-Backbone interact. energy: 4.440 local terms energy: -332.698135 where: bonds (distance) C4'-P energy: -76.392 bonds (distance) P-C4' energy: -82.493 flat angles C4'-P-C4' energy: -90.615 flat angles P-C4'-P energy: -40.336 tors. eta vs tors. theta energy: -42.862 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: 3 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -529.901003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.901003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.901003 (E_RNA) where: Base-Base interactions energy: -249.314 where: short stacking energy: -147.390 Base-Backbone interact. energy: -0.550 local terms energy: -280.037612 where: bonds (distance) C4'-P energy: -88.849 bonds (distance) P-C4' energy: -82.661 flat angles C4'-P-C4' energy: -62.123 flat angles P-C4'-P energy: -45.559 tors. eta vs tors. theta energy: -0.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1727.342506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.342506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.342506 (E_RNA) where: Base-Base interactions energy: -1175.297 where: short stacking energy: -500.206 Base-Backbone interact. energy: -2.616 local terms energy: -549.429049 where: bonds (distance) C4'-P energy: -91.503 bonds (distance) P-C4' energy: -95.434 flat angles C4'-P-C4' energy: -117.489 flat angles P-C4'-P energy: -82.621 tors. eta vs tors. theta energy: -162.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1703.237431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.237431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.237431 (E_RNA) where: Base-Base interactions energy: -1178.856 where: short stacking energy: -526.711 Base-Backbone interact. energy: -1.756 local terms energy: -522.624815 where: bonds (distance) C4'-P energy: -96.254 bonds (distance) P-C4' energy: -79.959 flat angles C4'-P-C4' energy: -103.402 flat angles P-C4'-P energy: -84.884 tors. eta vs tors. theta energy: -158.126 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: 3, replica: 8 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1582.716002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.716002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.716002 (E_RNA) where: Base-Base interactions energy: -1103.614 where: short stacking energy: -464.233 Base-Backbone interact. energy: 1.472 local terms energy: -480.574119 where: bonds (distance) C4'-P energy: -80.185 bonds (distance) P-C4' energy: -91.347 flat angles C4'-P-C4' energy: -99.944 flat angles P-C4'-P energy: -75.639 tors. eta vs tors. theta energy: -133.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1560.941615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.941615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.941615 (E_RNA) where: Base-Base interactions energy: -1090.631 where: short stacking energy: -454.899 Base-Backbone interact. energy: -1.231 local terms energy: -469.079351 where: bonds (distance) C4'-P energy: -89.187 bonds (distance) P-C4' energy: -91.270 flat angles C4'-P-C4' energy: -97.862 flat angles P-C4'-P energy: -63.212 tors. eta vs tors. theta energy: -127.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1418.298508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.298508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.298508 (E_RNA) where: Base-Base interactions energy: -979.865 where: short stacking energy: -391.796 Base-Backbone interact. energy: 1.463 local terms energy: -439.895883 where: bonds (distance) C4'-P energy: -87.336 bonds (distance) P-C4' energy: -81.880 flat angles C4'-P-C4' energy: -98.472 flat angles P-C4'-P energy: -60.010 tors. eta vs tors. theta energy: -112.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1258.608191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.608191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.608191 (E_RNA) where: Base-Base interactions energy: -852.353 where: short stacking energy: -378.637 Base-Backbone interact. energy: -2.752 local terms energy: -403.503040 where: bonds (distance) C4'-P energy: -73.416 bonds (distance) P-C4' energy: -89.697 flat angles C4'-P-C4' energy: -93.194 flat angles P-C4'-P energy: -61.640 tors. eta vs tors. theta energy: -85.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -994.964774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.964774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.964774 (E_RNA) where: Base-Base interactions energy: -622.660 where: short stacking energy: -287.338 Base-Backbone interact. energy: 0.663 local terms energy: -372.968201 where: bonds (distance) C4'-P energy: -92.190 bonds (distance) P-C4' energy: -77.742 flat angles C4'-P-C4' energy: -80.780 flat angles P-C4'-P energy: -58.038 tors. eta vs tors. theta energy: -64.218 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: 1 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -895.131311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.131311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.131311 (E_RNA) where: Base-Base interactions energy: -549.691 where: short stacking energy: -256.632 Base-Backbone interact. energy: -0.474 local terms energy: -344.966393 where: bonds (distance) C4'-P energy: -82.562 bonds (distance) P-C4' energy: -81.852 flat angles C4'-P-C4' energy: -72.709 flat angles P-C4'-P energy: -58.853 tors. eta vs tors. theta energy: -48.990 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: 9, replica: 9 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -826.124071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.124071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.124071 (E_RNA) where: Base-Base interactions energy: -513.416 where: short stacking energy: -259.386 Base-Backbone interact. energy: -3.763 local terms energy: -308.945755 where: bonds (distance) C4'-P energy: -72.331 bonds (distance) P-C4' energy: -68.973 flat angles C4'-P-C4' energy: -72.866 flat angles P-C4'-P energy: -52.135 tors. eta vs tors. theta energy: -42.642 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: 3 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -692.636670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.636670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.636670 (E_RNA) where: Base-Base interactions energy: -386.045 where: short stacking energy: -185.966 Base-Backbone interact. energy: -0.737 local terms energy: -305.854161 where: bonds (distance) C4'-P energy: -78.555 bonds (distance) P-C4' energy: -92.129 flat angles C4'-P-C4' energy: -88.092 flat angles P-C4'-P energy: -31.758 tors. eta vs tors. theta energy: -15.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1751.206029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.206029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.206029 (E_RNA) where: Base-Base interactions energy: -1215.351 where: short stacking energy: -511.194 Base-Backbone interact. energy: -1.369 local terms energy: -534.486049 where: bonds (distance) C4'-P energy: -82.432 bonds (distance) P-C4' energy: -103.391 flat angles C4'-P-C4' energy: -116.322 flat angles P-C4'-P energy: -76.677 tors. eta vs tors. theta energy: -155.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1690.146305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.146305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.146305 (E_RNA) where: Base-Base interactions energy: -1165.570 where: short stacking energy: -524.250 Base-Backbone interact. energy: -3.191 local terms energy: -521.385090 where: bonds (distance) C4'-P energy: -95.590 bonds (distance) P-C4' energy: -85.840 flat angles C4'-P-C4' energy: -109.021 flat angles P-C4'-P energy: -67.531 tors. eta vs tors. theta energy: -163.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1624.721521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.721521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.721521 (E_RNA) where: Base-Base interactions energy: -1164.741 where: short stacking energy: -469.073 Base-Backbone interact. energy: 2.971 local terms energy: -462.950962 where: bonds (distance) C4'-P energy: -81.174 bonds (distance) P-C4' energy: -90.917 flat angles C4'-P-C4' energy: -94.052 flat angles P-C4'-P energy: -65.241 tors. eta vs tors. theta energy: -131.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1565.674614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.674614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.674614 (E_RNA) where: Base-Base interactions energy: -1071.708 where: short stacking energy: -460.631 Base-Backbone interact. energy: -1.392 local terms energy: -492.574016 where: bonds (distance) C4'-P energy: -94.718 bonds (distance) P-C4' energy: -93.201 flat angles C4'-P-C4' energy: -104.608 flat angles P-C4'-P energy: -67.632 tors. eta vs tors. theta energy: -132.416 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: 5, replica: 10 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1472.415393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.415393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.415393 (E_RNA) where: Base-Base interactions energy: -1050.130 where: short stacking energy: -417.998 Base-Backbone interact. energy: 0.036 local terms energy: -422.320572 where: bonds (distance) C4'-P energy: -73.441 bonds (distance) P-C4' energy: -71.888 flat angles C4'-P-C4' energy: -104.275 flat angles P-C4'-P energy: -61.097 tors. eta vs tors. theta energy: -111.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1294.495290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.495290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.495290 (E_RNA) where: Base-Base interactions energy: -853.311 where: short stacking energy: -393.639 Base-Backbone interact. energy: -2.034 local terms energy: -439.150081 where: bonds (distance) C4'-P energy: -82.680 bonds (distance) P-C4' energy: -88.908 flat angles C4'-P-C4' energy: -98.280 flat angles P-C4'-P energy: -62.429 tors. eta vs tors. theta energy: -106.853 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: 431 Temperature: 1.200000 Total energy: -963.527438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.527438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.527438 (E_RNA) where: Base-Base interactions energy: -584.915 where: short stacking energy: -264.306 Base-Backbone interact. energy: -1.706 local terms energy: -376.906112 where: bonds (distance) C4'-P energy: -79.755 bonds (distance) P-C4' energy: -86.599 flat angles C4'-P-C4' energy: -113.879 flat angles P-C4'-P energy: -44.665 tors. eta vs tors. theta energy: -52.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -887.530239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.530239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.530239 (E_RNA) where: Base-Base interactions energy: -529.943 where: short stacking energy: -250.613 Base-Backbone interact. energy: -2.348 local terms energy: -355.239686 where: bonds (distance) C4'-P energy: -73.166 bonds (distance) P-C4' energy: -93.152 flat angles C4'-P-C4' energy: -90.926 flat angles P-C4'-P energy: -48.714 tors. eta vs tors. theta energy: -49.282 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: 9 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -774.724468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.724468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.724468 (E_RNA) where: Base-Base interactions energy: -458.914 where: short stacking energy: -194.381 Base-Backbone interact. energy: -1.218 local terms energy: -314.593053 where: bonds (distance) C4'-P energy: -77.242 bonds (distance) P-C4' energy: -84.647 flat angles C4'-P-C4' energy: -73.676 flat angles P-C4'-P energy: -38.300 tors. eta vs tors. theta energy: -40.729 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: 3 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -618.503051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.503051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.503051 (E_RNA) where: Base-Base interactions energy: -352.262 where: short stacking energy: -164.711 Base-Backbone interact. energy: -2.626 local terms energy: -263.614875 where: bonds (distance) C4'-P energy: -70.268 bonds (distance) P-C4' energy: -82.592 flat angles C4'-P-C4' energy: -60.927 flat angles P-C4'-P energy: -34.023 tors. eta vs tors. theta energy: -15.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1739.783300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.783300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.783300 (E_RNA) where: Base-Base interactions energy: -1232.431 where: short stacking energy: -514.928 Base-Backbone interact. energy: -0.447 local terms energy: -506.904832 where: bonds (distance) C4'-P energy: -84.488 bonds (distance) P-C4' energy: -101.942 flat angles C4'-P-C4' energy: -104.852 flat angles P-C4'-P energy: -66.791 tors. eta vs tors. theta energy: -148.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1698.096863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.096863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.096863 (E_RNA) where: Base-Base interactions energy: -1159.270 where: short stacking energy: -514.911 Base-Backbone interact. energy: 0.096 local terms energy: -538.922337 where: bonds (distance) C4'-P energy: -104.196 bonds (distance) P-C4' energy: -94.718 flat angles C4'-P-C4' energy: -105.169 flat angles P-C4'-P energy: -76.802 tors. eta vs tors. theta energy: -158.037 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: 3, replica: 8 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -1607.048075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.048075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.048075 (E_RNA) where: Base-Base interactions energy: -1100.831 where: short stacking energy: -467.783 Base-Backbone interact. energy: -1.684 local terms energy: -504.533793 where: bonds (distance) C4'-P energy: -85.458 bonds (distance) P-C4' energy: -96.016 flat angles C4'-P-C4' energy: -111.140 flat angles P-C4'-P energy: -74.003 tors. eta vs tors. theta energy: -137.917 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: 2 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1560.197530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.197530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.197530 (E_RNA) where: Base-Base interactions energy: -1080.064 where: short stacking energy: -442.058 Base-Backbone interact. energy: -2.408 local terms energy: -477.725644 where: bonds (distance) C4'-P energy: -91.030 bonds (distance) P-C4' energy: -83.182 flat angles C4'-P-C4' energy: -104.921 flat angles P-C4'-P energy: -76.245 tors. eta vs tors. theta energy: -122.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1444.720082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.720082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.720082 (E_RNA) where: Base-Base interactions energy: -993.251 where: short stacking energy: -407.002 Base-Backbone interact. energy: -2.115 local terms energy: -449.353950 where: bonds (distance) C4'-P energy: -82.116 bonds (distance) P-C4' energy: -92.267 flat angles C4'-P-C4' energy: -102.770 flat angles P-C4'-P energy: -54.309 tors. eta vs tors. theta energy: -117.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1313.374309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.374309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.374309 (E_RNA) where: Base-Base interactions energy: -897.474 where: short stacking energy: -373.843 Base-Backbone interact. energy: 1.822 local terms energy: -417.722249 where: bonds (distance) C4'-P energy: -74.829 bonds (distance) P-C4' energy: -86.487 flat angles C4'-P-C4' energy: -91.744 flat angles P-C4'-P energy: -56.797 tors. eta vs tors. theta energy: -107.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -955.827079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.827079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.827079 (E_RNA) where: Base-Base interactions energy: -589.493 where: short stacking energy: -275.712 Base-Backbone interact. energy: -0.456 local terms energy: -365.878259 where: bonds (distance) C4'-P energy: -94.980 bonds (distance) P-C4' energy: -78.290 flat angles C4'-P-C4' energy: -88.601 flat angles P-C4'-P energy: -47.175 tors. eta vs tors. theta energy: -56.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -865.408186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.408186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.408186 (E_RNA) where: Base-Base interactions energy: -530.490 where: short stacking energy: -236.736 Base-Backbone interact. energy: 0.463 local terms energy: -335.381727 where: bonds (distance) C4'-P energy: -85.780 bonds (distance) P-C4' energy: -85.698 flat angles C4'-P-C4' energy: -82.701 flat angles P-C4'-P energy: -55.113 tors. eta vs tors. theta energy: -26.089 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: 9 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -766.071081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.071081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.071081 (E_RNA) where: Base-Base interactions energy: -441.388 where: short stacking energy: -214.983 Base-Backbone interact. energy: 2.166 local terms energy: -326.849344 where: bonds (distance) C4'-P energy: -89.679 bonds (distance) P-C4' energy: -86.564 flat angles C4'-P-C4' energy: -94.150 flat angles P-C4'-P energy: -28.835 tors. eta vs tors. theta energy: -27.622 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: 10, replica: 3 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -582.690125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.690125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.690125 (E_RNA) where: Base-Base interactions energy: -312.901 where: short stacking energy: -154.794 Base-Backbone interact. energy: 1.224 local terms energy: -271.013202 where: bonds (distance) C4'-P energy: -83.954 bonds (distance) P-C4' energy: -76.622 flat angles C4'-P-C4' energy: -62.622 flat angles P-C4'-P energy: -42.366 tors. eta vs tors. theta energy: -5.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1739.127159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.127159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.127159 (E_RNA) where: Base-Base interactions energy: -1204.467 where: short stacking energy: -510.696 Base-Backbone interact. energy: -2.752 local terms energy: -531.908168 where: bonds (distance) C4'-P energy: -99.079 bonds (distance) P-C4' energy: -87.284 flat angles C4'-P-C4' energy: -115.102 flat angles P-C4'-P energy: -81.026 tors. eta vs tors. theta energy: -149.417 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: 2, replica: 6 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1695.221430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.221430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.221430 (E_RNA) where: Base-Base interactions energy: -1156.423 where: short stacking energy: -524.041 Base-Backbone interact. energy: -0.679 local terms energy: -538.119237 where: bonds (distance) C4'-P energy: -100.433 bonds (distance) P-C4' energy: -92.531 flat angles C4'-P-C4' energy: -105.769 flat angles P-C4'-P energy: -81.793 tors. eta vs tors. theta energy: -157.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1609.653780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.653780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.653780 (E_RNA) where: Base-Base interactions energy: -1108.454 where: short stacking energy: -483.766 Base-Backbone interact. energy: -2.364 local terms energy: -498.834843 where: bonds (distance) C4'-P energy: -90.252 bonds (distance) P-C4' energy: -98.764 flat angles C4'-P-C4' energy: -111.949 flat angles P-C4'-P energy: -62.719 tors. eta vs tors. theta energy: -135.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1574.686218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.686218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.686218 (E_RNA) where: Base-Base interactions energy: -1094.571 where: short stacking energy: -474.550 Base-Backbone interact. energy: -2.738 local terms energy: -477.376977 where: bonds (distance) C4'-P energy: -90.390 bonds (distance) P-C4' energy: -80.472 flat angles C4'-P-C4' energy: -98.238 flat angles P-C4'-P energy: -72.905 tors. eta vs tors. theta energy: -135.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1410.806565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.806565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.806565 (E_RNA) where: Base-Base interactions energy: -988.903 where: short stacking energy: -405.503 Base-Backbone interact. energy: -1.498 local terms energy: -420.405475 where: bonds (distance) C4'-P energy: -73.875 bonds (distance) P-C4' energy: -86.451 flat angles C4'-P-C4' energy: -89.484 flat angles P-C4'-P energy: -61.972 tors. eta vs tors. theta energy: -108.623 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: 4 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1338.671144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.671144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.671144 (E_RNA) where: Base-Base interactions energy: -892.509 where: short stacking energy: -392.811 Base-Backbone interact. energy: -0.670 local terms energy: -445.491998 where: bonds (distance) C4'-P energy: -88.421 bonds (distance) P-C4' energy: -92.390 flat angles C4'-P-C4' energy: -94.980 flat angles P-C4'-P energy: -66.017 tors. eta vs tors. theta energy: -103.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -977.080063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.080063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.080063 (E_RNA) where: Base-Base interactions energy: -584.893 where: short stacking energy: -294.554 Base-Backbone interact. energy: 1.114 local terms energy: -393.301323 where: bonds (distance) C4'-P energy: -82.391 bonds (distance) P-C4' energy: -94.594 flat angles C4'-P-C4' energy: -92.071 flat angles P-C4'-P energy: -65.624 tors. eta vs tors. theta energy: -58.621 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: 433 Temperature: 1.250000 Total energy: -858.656489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.656489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.656489 (E_RNA) where: Base-Base interactions energy: -519.687 where: short stacking energy: -236.809 Base-Backbone interact. energy: -0.505 local terms energy: -338.463973 where: bonds (distance) C4'-P energy: -80.317 bonds (distance) P-C4' energy: -89.685 flat angles C4'-P-C4' energy: -82.305 flat angles P-C4'-P energy: -47.298 tors. eta vs tors. theta energy: -38.858 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: 9 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -788.085864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.085864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.085864 (E_RNA) where: Base-Base interactions energy: -475.733 where: short stacking energy: -262.078 Base-Backbone interact. energy: -0.966 local terms energy: -311.386942 where: bonds (distance) C4'-P energy: -64.785 bonds (distance) P-C4' energy: -87.286 flat angles C4'-P-C4' energy: -73.405 flat angles P-C4'-P energy: -40.155 tors. eta vs tors. theta energy: -45.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -587.480508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.480508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.480508 (E_RNA) where: Base-Base interactions energy: -299.751 where: short stacking energy: -179.648 Base-Backbone interact. energy: 1.619 local terms energy: -289.348605 where: bonds (distance) C4'-P energy: -68.767 bonds (distance) P-C4' energy: -88.875 flat angles C4'-P-C4' energy: -77.324 flat angles P-C4'-P energy: -37.369 tors. eta vs tors. theta energy: -17.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1737.042061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.042061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.042061 (E_RNA) where: Base-Base interactions energy: -1203.079 where: short stacking energy: -505.426 Base-Backbone interact. energy: -2.773 local terms energy: -531.189732 where: bonds (distance) C4'-P energy: -94.056 bonds (distance) P-C4' energy: -95.952 flat angles C4'-P-C4' energy: -112.661 flat angles P-C4'-P energy: -75.678 tors. eta vs tors. theta energy: -152.842 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: 2, replica: 6 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1682.060403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.060403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.060403 (E_RNA) where: Base-Base interactions energy: -1145.013 where: short stacking energy: -520.785 Base-Backbone interact. energy: 4.346 local terms energy: -541.392992 where: bonds (distance) C4'-P energy: -103.063 bonds (distance) P-C4' energy: -96.836 flat angles C4'-P-C4' energy: -106.844 flat angles P-C4'-P energy: -73.218 tors. eta vs tors. theta energy: -161.433 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: 8 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1618.915494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.915494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.915494 (E_RNA) where: Base-Base interactions energy: -1113.508 where: short stacking energy: -495.673 Base-Backbone interact. energy: -0.003 local terms energy: -505.404457 where: bonds (distance) C4'-P energy: -82.625 bonds (distance) P-C4' energy: -93.149 flat angles C4'-P-C4' energy: -105.646 flat angles P-C4'-P energy: -78.604 tors. eta vs tors. theta energy: -145.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1569.916071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.916071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.916071 (E_RNA) where: Base-Base interactions energy: -1089.478 where: short stacking energy: -470.959 Base-Backbone interact. energy: 0.399 local terms energy: -480.836606 where: bonds (distance) C4'-P energy: -79.833 bonds (distance) P-C4' energy: -91.120 flat angles C4'-P-C4' energy: -99.584 flat angles P-C4'-P energy: -76.902 tors. eta vs tors. theta energy: -133.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1436.950277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.950277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.950277 (E_RNA) where: Base-Base interactions energy: -1011.836 where: short stacking energy: -404.356 Base-Backbone interact. energy: -0.321 local terms energy: -424.792775 where: bonds (distance) C4'-P energy: -74.459 bonds (distance) P-C4' energy: -87.887 flat angles C4'-P-C4' energy: -86.191 flat angles P-C4'-P energy: -66.162 tors. eta vs tors. theta energy: -110.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1315.615322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.615322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.615322 (E_RNA) where: Base-Base interactions energy: -898.963 where: short stacking energy: -353.175 Base-Backbone interact. energy: -1.239 local terms energy: -415.413465 where: bonds (distance) C4'-P energy: -90.166 bonds (distance) P-C4' energy: -81.930 flat angles C4'-P-C4' energy: -86.186 flat angles P-C4'-P energy: -63.680 tors. eta vs tors. theta energy: -93.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -947.565821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.565821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.565821 (E_RNA) where: Base-Base interactions energy: -590.513 where: short stacking energy: -267.594 Base-Backbone interact. energy: -1.913 local terms energy: -355.139261 where: bonds (distance) C4'-P energy: -86.732 bonds (distance) P-C4' energy: -81.492 flat angles C4'-P-C4' energy: -81.473 flat angles P-C4'-P energy: -55.934 tors. eta vs tors. theta energy: -49.508 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: 8, replica: 1 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -873.332119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.332119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.332119 (E_RNA) where: Base-Base interactions energy: -548.347 where: short stacking energy: -257.630 Base-Backbone interact. energy: -1.708 local terms energy: -323.277352 where: bonds (distance) C4'-P energy: -74.432 bonds (distance) P-C4' energy: -78.090 flat angles C4'-P-C4' energy: -76.295 flat angles P-C4'-P energy: -42.355 tors. eta vs tors. theta energy: -52.106 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: 9 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -801.101159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.101159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.101159 (E_RNA) where: Base-Base interactions energy: -488.436 where: short stacking energy: -247.101 Base-Backbone interact. energy: 3.091 local terms energy: -315.756083 where: bonds (distance) C4'-P energy: -96.408 bonds (distance) P-C4' energy: -73.296 flat angles C4'-P-C4' energy: -75.735 flat angles P-C4'-P energy: -21.144 tors. eta vs tors. theta energy: -49.173 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: 10, replica: 3 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -598.744811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.744811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.744811 (E_RNA) where: Base-Base interactions energy: -309.077 where: short stacking energy: -172.784 Base-Backbone interact. energy: 0.807 local terms energy: -290.475410 where: bonds (distance) C4'-P energy: -80.332 bonds (distance) P-C4' energy: -87.474 flat angles C4'-P-C4' energy: -63.517 flat angles P-C4'-P energy: -38.652 tors. eta vs tors. theta energy: -20.500 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: 7 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1711.963022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.963022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.963022 (E_RNA) where: Base-Base interactions energy: -1196.572 where: short stacking energy: -506.666 Base-Backbone interact. energy: -3.500 local terms energy: -511.891580 where: bonds (distance) C4'-P energy: -95.065 bonds (distance) P-C4' energy: -92.031 flat angles C4'-P-C4' energy: -116.399 flat angles P-C4'-P energy: -63.429 tors. eta vs tors. theta energy: -144.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1702.341046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.341046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.341046 (E_RNA) where: Base-Base interactions energy: -1180.944 where: short stacking energy: -538.669 Base-Backbone interact. energy: -2.543 local terms energy: -518.853834 where: bonds (distance) C4'-P energy: -85.597 bonds (distance) P-C4' energy: -87.545 flat angles C4'-P-C4' energy: -111.808 flat angles P-C4'-P energy: -73.710 tors. eta vs tors. theta energy: -160.194 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: 8 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1608.662447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.662447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.662447 (E_RNA) where: Base-Base interactions energy: -1128.740 where: short stacking energy: -475.622 Base-Backbone interact. energy: -2.272 local terms energy: -477.650348 where: bonds (distance) C4'-P energy: -75.425 bonds (distance) P-C4' energy: -88.396 flat angles C4'-P-C4' energy: -98.600 flat angles P-C4'-P energy: -77.509 tors. eta vs tors. theta energy: -137.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1601.241628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.241628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.241628 (E_RNA) where: Base-Base interactions energy: -1114.523 where: short stacking energy: -466.445 Base-Backbone interact. energy: -1.730 local terms energy: -484.989380 where: bonds (distance) C4'-P energy: -93.165 bonds (distance) P-C4' energy: -77.504 flat angles C4'-P-C4' energy: -103.686 flat angles P-C4'-P energy: -69.327 tors. eta vs tors. theta energy: -141.307 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: 4 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1450.430878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.430878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.430878 (E_RNA) where: Base-Base interactions energy: -1013.851 where: short stacking energy: -420.279 Base-Backbone interact. energy: -1.884 local terms energy: -434.696056 where: bonds (distance) C4'-P energy: -79.919 bonds (distance) P-C4' energy: -85.613 flat angles C4'-P-C4' energy: -99.336 flat angles P-C4'-P energy: -58.744 tors. eta vs tors. theta energy: -111.084 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: 10 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1329.976228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.976228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.976228 (E_RNA) where: Base-Base interactions energy: -904.417 where: short stacking energy: -368.113 Base-Backbone interact. energy: -1.485 local terms energy: -424.074243 where: bonds (distance) C4'-P energy: -81.644 bonds (distance) P-C4' energy: -94.207 flat angles C4'-P-C4' energy: -84.391 flat angles P-C4'-P energy: -62.982 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: 5 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1050.999961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.999961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.999961 (E_RNA) where: Base-Base interactions energy: -689.161 where: short stacking energy: -302.696 Base-Backbone interact. energy: -1.246 local terms energy: -360.592761 where: bonds (distance) C4'-P energy: -74.239 bonds (distance) P-C4' energy: -76.466 flat angles C4'-P-C4' energy: -76.075 flat angles P-C4'-P energy: -64.358 tors. eta vs tors. theta energy: -69.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -897.736481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.736481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.736481 (E_RNA) where: Base-Base interactions energy: -541.505 where: short stacking energy: -259.001 Base-Backbone interact. energy: -2.004 local terms energy: -354.227231 where: bonds (distance) C4'-P energy: -90.403 bonds (distance) P-C4' energy: -82.925 flat angles C4'-P-C4' energy: -91.822 flat angles P-C4'-P energy: -40.864 tors. eta vs tors. theta energy: -48.213 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: 9 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -827.337082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.337082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.337082 (E_RNA) where: Base-Base interactions energy: -528.407 where: short stacking energy: -230.009 Base-Backbone interact. energy: -2.336 local terms energy: -296.593953 where: bonds (distance) C4'-P energy: -84.390 bonds (distance) P-C4' energy: -90.535 flat angles C4'-P-C4' energy: -64.010 flat angles P-C4'-P energy: -34.005 tors. eta vs tors. theta energy: -23.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -578.473912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.473912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.473912 (E_RNA) where: Base-Base interactions energy: -302.627 where: short stacking energy: -164.693 Base-Backbone interact. energy: -0.294 local terms energy: -275.553228 where: bonds (distance) C4'-P energy: -76.811 bonds (distance) P-C4' energy: -80.707 flat angles C4'-P-C4' energy: -71.116 flat angles P-C4'-P energy: -38.407 tors. eta vs tors. theta energy: -8.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1712.535381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.535381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.535381 (E_RNA) where: Base-Base interactions energy: -1182.128 where: short stacking energy: -497.806 Base-Backbone interact. energy: 0.228 local terms energy: -530.636058 where: bonds (distance) C4'-P energy: -97.174 bonds (distance) P-C4' energy: -104.455 flat angles C4'-P-C4' energy: -109.884 flat angles P-C4'-P energy: -74.462 tors. eta vs tors. theta energy: -144.661 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: 6 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1688.532202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.532202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.532202 (E_RNA) where: Base-Base interactions energy: -1154.467 where: short stacking energy: -516.257 Base-Backbone interact. energy: -0.097 local terms energy: -533.967841 where: bonds (distance) C4'-P energy: -91.823 bonds (distance) P-C4' energy: -93.814 flat angles C4'-P-C4' energy: -107.083 flat angles P-C4'-P energy: -79.378 tors. eta vs tors. theta energy: -161.870 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: 8 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1623.364549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.364549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.364549 (E_RNA) where: Base-Base interactions energy: -1146.525 where: short stacking energy: -506.564 Base-Backbone interact. energy: -0.222 local terms energy: -476.616899 where: bonds (distance) C4'-P energy: -76.117 bonds (distance) P-C4' energy: -94.046 flat angles C4'-P-C4' energy: -97.856 flat angles P-C4'-P energy: -65.817 tors. eta vs tors. theta energy: -142.781 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: 2 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1603.637908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.637908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.637908 (E_RNA) where: Base-Base interactions energy: -1114.658 where: short stacking energy: -458.052 Base-Backbone interact. energy: -0.302 local terms energy: -488.678529 where: bonds (distance) C4'-P energy: -90.713 bonds (distance) P-C4' energy: -91.690 flat angles C4'-P-C4' energy: -97.954 flat angles P-C4'-P energy: -76.767 tors. eta vs tors. theta energy: -131.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1445.172560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.172560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.172560 (E_RNA) where: Base-Base interactions energy: -995.966 where: short stacking energy: -401.012 Base-Backbone interact. energy: -1.788 local terms energy: -447.418146 where: bonds (distance) C4'-P energy: -95.814 bonds (distance) P-C4' energy: -72.413 flat angles C4'-P-C4' energy: -97.817 flat angles P-C4'-P energy: -60.911 tors. eta vs tors. theta energy: -120.463 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: 436 Temperature: 1.150000 Total energy: -1374.772914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.772914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.772914 (E_RNA) where: Base-Base interactions energy: -951.872 where: short stacking energy: -412.858 Base-Backbone interact. energy: -1.426 local terms energy: -421.474896 where: bonds (distance) C4'-P energy: -75.416 bonds (distance) P-C4' energy: -70.649 flat angles C4'-P-C4' energy: -101.357 flat angles P-C4'-P energy: -56.116 tors. eta vs tors. theta energy: -117.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -985.528756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.528756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.528756 (E_RNA) where: Base-Base interactions energy: -634.948 where: short stacking energy: -280.443 Base-Backbone interact. energy: -0.221 local terms energy: -350.360404 where: bonds (distance) C4'-P energy: -88.027 bonds (distance) P-C4' energy: -91.336 flat angles C4'-P-C4' energy: -72.674 flat angles P-C4'-P energy: -60.940 tors. eta vs tors. theta energy: -37.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -964.575158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.575158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.575158 (E_RNA) where: Base-Base interactions energy: -607.640 where: short stacking energy: -303.166 Base-Backbone interact. energy: -0.165 local terms energy: -356.770820 where: bonds (distance) C4'-P energy: -77.608 bonds (distance) P-C4' energy: -70.374 flat angles C4'-P-C4' energy: -90.678 flat angles P-C4'-P energy: -41.175 tors. eta vs tors. theta energy: -76.936 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: 9 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -818.502311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.502311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.502311 (E_RNA) where: Base-Base interactions energy: -486.950 where: short stacking energy: -233.146 Base-Backbone interact. energy: -0.920 local terms energy: -330.631687 where: bonds (distance) C4'-P energy: -90.682 bonds (distance) P-C4' energy: -73.215 flat angles C4'-P-C4' energy: -74.730 flat angles P-C4'-P energy: -48.065 tors. eta vs tors. theta energy: -43.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -536.946133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.946133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.946133 (E_RNA) where: Base-Base interactions energy: -280.980 where: short stacking energy: -148.479 Base-Backbone interact. energy: -2.139 local terms energy: -253.826517 where: bonds (distance) C4'-P energy: -67.375 bonds (distance) P-C4' energy: -96.134 flat angles C4'-P-C4' energy: -74.013 flat angles P-C4'-P energy: -27.050 tors. eta vs tors. theta energy: 10.746 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: 7 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1720.374495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.374495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.374495 (E_RNA) where: Base-Base interactions energy: -1214.397 where: short stacking energy: -508.184 Base-Backbone interact. energy: -2.494 local terms energy: -503.483826 where: bonds (distance) C4'-P energy: -90.362 bonds (distance) P-C4' energy: -85.234 flat angles C4'-P-C4' energy: -102.493 flat angles P-C4'-P energy: -77.105 tors. eta vs tors. theta energy: -148.290 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: 6 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1691.174141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.174141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.174141 (E_RNA) where: Base-Base interactions energy: -1148.741 where: short stacking energy: -531.780 Base-Backbone interact. energy: -2.729 local terms energy: -539.703787 where: bonds (distance) C4'-P energy: -92.888 bonds (distance) P-C4' energy: -97.884 flat angles C4'-P-C4' energy: -109.706 flat angles P-C4'-P energy: -76.437 tors. eta vs tors. theta energy: -162.788 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: 8 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1619.829896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.829896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.829896 (E_RNA) where: Base-Base interactions energy: -1125.971 where: short stacking energy: -476.593 Base-Backbone interact. energy: -2.876 local terms energy: -490.983343 where: bonds (distance) C4'-P energy: -86.001 bonds (distance) P-C4' energy: -80.968 flat angles C4'-P-C4' energy: -114.227 flat angles P-C4'-P energy: -64.181 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: 2 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1597.791045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.791045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.791045 (E_RNA) where: Base-Base interactions energy: -1126.057 where: short stacking energy: -458.652 Base-Backbone interact. energy: 0.374 local terms energy: -472.108189 where: bonds (distance) C4'-P energy: -79.931 bonds (distance) P-C4' energy: -96.032 flat angles C4'-P-C4' energy: -105.094 flat angles P-C4'-P energy: -65.513 tors. eta vs tors. theta energy: -125.538 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: 4 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1449.100185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.100185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.100185 (E_RNA) where: Base-Base interactions energy: -985.054 where: short stacking energy: -407.523 Base-Backbone interact. energy: -0.861 local terms energy: -463.184836 where: bonds (distance) C4'-P energy: -74.486 bonds (distance) P-C4' energy: -92.620 flat angles C4'-P-C4' energy: -102.256 flat angles P-C4'-P energy: -77.147 tors. eta vs tors. theta energy: -116.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1386.583818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.583818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.583818 (E_RNA) where: Base-Base interactions energy: -962.937 where: short stacking energy: -412.202 Base-Backbone interact. energy: -0.400 local terms energy: -423.246570 where: bonds (distance) C4'-P energy: -79.811 bonds (distance) P-C4' energy: -80.445 flat angles C4'-P-C4' energy: -80.842 flat angles P-C4'-P energy: -60.165 tors. eta vs tors. theta energy: -121.983 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: 437 Temperature: 1.200000 Total energy: -998.376082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.376082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.376082 (E_RNA) where: Base-Base interactions energy: -613.878 where: short stacking energy: -331.710 Base-Backbone interact. energy: 0.473 local terms energy: -384.971360 where: bonds (distance) C4'-P energy: -80.545 bonds (distance) P-C4' energy: -100.303 flat angles C4'-P-C4' energy: -95.109 flat angles P-C4'-P energy: -34.331 tors. eta vs tors. theta energy: -74.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -958.030329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.030329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.030329 (E_RNA) where: Base-Base interactions energy: -614.291 where: short stacking energy: -283.956 Base-Backbone interact. energy: -2.830 local terms energy: -340.909709 where: bonds (distance) C4'-P energy: -70.719 bonds (distance) P-C4' energy: -82.164 flat angles C4'-P-C4' energy: -84.161 flat angles P-C4'-P energy: -60.967 tors. eta vs tors. theta energy: -42.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -801.226215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.226215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.226215 (E_RNA) where: Base-Base interactions energy: -489.074 where: short stacking energy: -213.729 Base-Backbone interact. energy: -0.693 local terms energy: -311.459264 where: bonds (distance) C4'-P energy: -80.508 bonds (distance) P-C4' energy: -77.840 flat angles C4'-P-C4' energy: -75.568 flat angles P-C4'-P energy: -44.674 tors. eta vs tors. theta energy: -32.870 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: 3 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -580.082169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.082169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.082169 (E_RNA) where: Base-Base interactions energy: -309.779 where: short stacking energy: -173.119 Base-Backbone interact. energy: 1.744 local terms energy: -272.047016 where: bonds (distance) C4'-P energy: -77.559 bonds (distance) P-C4' energy: -76.713 flat angles C4'-P-C4' energy: -55.744 flat angles P-C4'-P energy: -50.070 tors. eta vs tors. theta energy: -11.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1738.251370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.251370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.251370 (E_RNA) where: Base-Base interactions energy: -1195.102 where: short stacking energy: -528.198 Base-Backbone interact. energy: -0.585 local terms energy: -542.564859 where: bonds (distance) C4'-P energy: -99.784 bonds (distance) P-C4' energy: -95.016 flat angles C4'-P-C4' energy: -107.868 flat angles P-C4'-P energy: -79.248 tors. eta vs tors. theta energy: -160.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1711.958399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.958399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.958399 (E_RNA) where: Base-Base interactions energy: -1156.059 where: short stacking energy: -533.426 Base-Backbone interact. energy: -1.724 local terms energy: -554.175589 where: bonds (distance) C4'-P energy: -98.101 bonds (distance) P-C4' energy: -98.581 flat angles C4'-P-C4' energy: -114.237 flat angles P-C4'-P energy: -75.551 tors. eta vs tors. theta energy: -167.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1681.970354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.970354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.970354 (E_RNA) where: Base-Base interactions energy: -1168.202 where: short stacking energy: -494.298 Base-Backbone interact. energy: -3.376 local terms energy: -510.391959 where: bonds (distance) C4'-P energy: -95.583 bonds (distance) P-C4' energy: -98.916 flat angles C4'-P-C4' energy: -115.270 flat angles P-C4'-P energy: -61.225 tors. eta vs tors. theta energy: -139.398 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: 8 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1554.067590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.067590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.067590 (E_RNA) where: Base-Base interactions energy: -1072.445 where: short stacking energy: -461.284 Base-Backbone interact. energy: -3.114 local terms energy: -478.508143 where: bonds (distance) C4'-P energy: -87.913 bonds (distance) P-C4' energy: -89.577 flat angles C4'-P-C4' energy: -98.344 flat angles P-C4'-P energy: -65.979 tors. eta vs tors. theta energy: -136.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -1433.866392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.866392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.866392 (E_RNA) where: Base-Base interactions energy: -971.567 where: short stacking energy: -404.836 Base-Backbone interact. energy: -0.899 local terms energy: -461.399998 where: bonds (distance) C4'-P energy: -85.248 bonds (distance) P-C4' energy: -101.367 flat angles C4'-P-C4' energy: -91.433 flat angles P-C4'-P energy: -63.662 tors. eta vs tors. theta energy: -119.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1365.677460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.677460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.677460 (E_RNA) where: Base-Base interactions energy: -913.222 where: short stacking energy: -372.201 Base-Backbone interact. energy: -2.549 local terms energy: -449.906459 where: bonds (distance) C4'-P energy: -87.802 bonds (distance) P-C4' energy: -84.331 flat angles C4'-P-C4' energy: -97.705 flat angles P-C4'-P energy: -62.091 tors. eta vs tors. theta energy: -117.978 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: 5 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -984.212782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.212782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.212782 (E_RNA) where: Base-Base interactions energy: -616.338 where: short stacking energy: -294.036 Base-Backbone interact. energy: -1.464 local terms energy: -366.410191 where: bonds (distance) C4'-P energy: -87.631 bonds (distance) P-C4' energy: -86.293 flat angles C4'-P-C4' energy: -84.914 flat angles P-C4'-P energy: -48.149 tors. eta vs tors. theta energy: -59.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -916.591611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.591611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.591611 (E_RNA) where: Base-Base interactions energy: -550.681 where: short stacking energy: -259.490 Base-Backbone interact. energy: 0.177 local terms energy: -366.087535 where: bonds (distance) C4'-P energy: -82.735 bonds (distance) P-C4' energy: -85.846 flat angles C4'-P-C4' energy: -92.056 flat angles P-C4'-P energy: -50.332 tors. eta vs tors. theta energy: -55.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -789.641011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.641011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.641011 (E_RNA) where: Base-Base interactions energy: -457.216 where: short stacking energy: -221.150 Base-Backbone interact. energy: -0.745 local terms energy: -331.680717 where: bonds (distance) C4'-P energy: -90.288 bonds (distance) P-C4' energy: -87.474 flat angles C4'-P-C4' energy: -78.793 flat angles P-C4'-P energy: -42.485 tors. eta vs tors. theta energy: -32.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -550.093072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.093072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.093072 (E_RNA) where: Base-Base interactions energy: -282.440 where: short stacking energy: -148.059 Base-Backbone interact. energy: 0.429 local terms energy: -268.082761 where: bonds (distance) C4'-P energy: -66.966 bonds (distance) P-C4' energy: -81.630 flat angles C4'-P-C4' energy: -77.192 flat angles P-C4'-P energy: -46.919 tors. eta vs tors. theta energy: 4.623 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: 1, replica: 7 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1745.113997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.113997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.113997 (E_RNA) where: Base-Base interactions energy: -1206.208 where: short stacking energy: -504.963 Base-Backbone interact. energy: -1.703 local terms energy: -537.202890 where: bonds (distance) C4'-P energy: -92.185 bonds (distance) P-C4' energy: -107.845 flat angles C4'-P-C4' energy: -113.372 flat angles P-C4'-P energy: -72.243 tors. eta vs tors. theta energy: -151.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1715.572086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.572086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.572086 (E_RNA) where: Base-Base interactions energy: -1179.104 where: short stacking energy: -518.790 Base-Backbone interact. energy: -1.557 local terms energy: -534.910634 where: bonds (distance) C4'-P energy: -99.473 bonds (distance) P-C4' energy: -94.740 flat angles C4'-P-C4' energy: -112.276 flat angles P-C4'-P energy: -74.405 tors. eta vs tors. theta energy: -154.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1645.186694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.186694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.186694 (E_RNA) where: Base-Base interactions energy: -1168.795 where: short stacking energy: -486.971 Base-Backbone interact. energy: -2.676 local terms energy: -473.715774 where: bonds (distance) C4'-P energy: -82.590 bonds (distance) P-C4' energy: -82.762 flat angles C4'-P-C4' energy: -108.515 flat angles P-C4'-P energy: -60.024 tors. eta vs tors. theta energy: -139.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1560.937241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.937241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.937241 (E_RNA) where: Base-Base interactions energy: -1093.643 where: short stacking energy: -465.108 Base-Backbone interact. energy: -2.795 local terms energy: -464.499241 where: bonds (distance) C4'-P energy: -83.573 bonds (distance) P-C4' energy: -73.283 flat angles C4'-P-C4' energy: -100.444 flat angles P-C4'-P energy: -74.019 tors. eta vs tors. theta energy: -133.180 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: 4 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -1399.138668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.138668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.138668 (E_RNA) where: Base-Base interactions energy: -976.399 where: short stacking energy: -408.422 Base-Backbone interact. energy: -3.224 local terms energy: -419.515627 where: bonds (distance) C4'-P energy: -87.946 bonds (distance) P-C4' energy: -81.134 flat angles C4'-P-C4' energy: -90.626 flat angles P-C4'-P energy: -51.293 tors. eta vs tors. theta energy: -108.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1360.805553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.805553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.805553 (E_RNA) where: Base-Base interactions energy: -926.109 where: short stacking energy: -363.044 Base-Backbone interact. energy: -1.369 local terms energy: -433.328176 where: bonds (distance) C4'-P energy: -79.026 bonds (distance) P-C4' energy: -91.455 flat angles C4'-P-C4' energy: -91.551 flat angles P-C4'-P energy: -70.187 tors. eta vs tors. theta energy: -101.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1021.034580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.034580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.034580 (E_RNA) where: Base-Base interactions energy: -641.331 where: short stacking energy: -298.072 Base-Backbone interact. energy: -1.262 local terms energy: -378.441939 where: bonds (distance) C4'-P energy: -90.629 bonds (distance) P-C4' energy: -87.266 flat angles C4'-P-C4' energy: -83.794 flat angles P-C4'-P energy: -58.278 tors. eta vs tors. theta energy: -58.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -978.957827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.957827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.957827 (E_RNA) where: Base-Base interactions energy: -620.313 where: short stacking energy: -282.779 Base-Backbone interact. energy: 0.925 local terms energy: -359.569201 where: bonds (distance) C4'-P energy: -69.119 bonds (distance) P-C4' energy: -83.711 flat angles C4'-P-C4' energy: -90.257 flat angles P-C4'-P energy: -54.498 tors. eta vs tors. theta energy: -61.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -797.202858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.202858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.202858 (E_RNA) where: Base-Base interactions energy: -464.214 where: short stacking energy: -214.846 Base-Backbone interact. energy: 2.167 local terms energy: -335.155778 where: bonds (distance) C4'-P energy: -78.465 bonds (distance) P-C4' energy: -75.170 flat angles C4'-P-C4' energy: -83.399 flat angles P-C4'-P energy: -54.396 tors. eta vs tors. theta energy: -43.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -557.991698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.991698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.991698 (E_RNA) where: Base-Base interactions energy: -300.141 where: short stacking energy: -174.092 Base-Backbone interact. energy: -1.789 local terms energy: -256.061965 where: bonds (distance) C4'-P energy: -72.638 bonds (distance) P-C4' energy: -73.616 flat angles C4'-P-C4' energy: -76.744 flat angles P-C4'-P energy: -37.572 tors. eta vs tors. theta energy: 4.509 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: 1, replica: 6 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1726.050944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.050944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.050944 (E_RNA) where: Base-Base interactions energy: -1171.409 where: short stacking energy: -532.244 Base-Backbone interact. energy: -1.341 local terms energy: -553.300591 where: bonds (distance) C4'-P energy: -101.149 bonds (distance) P-C4' energy: -99.831 flat angles C4'-P-C4' energy: -109.461 flat angles P-C4'-P energy: -81.357 tors. eta vs tors. theta energy: -161.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1724.478687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.478687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.478687 (E_RNA) where: Base-Base interactions energy: -1184.017 where: short stacking energy: -500.439 Base-Backbone interact. energy: -2.837 local terms energy: -537.624811 where: bonds (distance) C4'-P energy: -101.414 bonds (distance) P-C4' energy: -103.700 flat angles C4'-P-C4' energy: -115.190 flat angles P-C4'-P energy: -67.460 tors. eta vs tors. theta energy: -149.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1631.683202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.683202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.683202 (E_RNA) where: Base-Base interactions energy: -1125.967 where: short stacking energy: -471.898 Base-Backbone interact. energy: -1.865 local terms energy: -503.850836 where: bonds (distance) C4'-P energy: -93.195 bonds (distance) P-C4' energy: -92.367 flat angles C4'-P-C4' energy: -108.752 flat angles P-C4'-P energy: -71.661 tors. eta vs tors. theta energy: -137.876 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: 8 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1545.007499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.007499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.007499 (E_RNA) where: Base-Base interactions energy: -1070.379 where: short stacking energy: -457.498 Base-Backbone interact. energy: 2.455 local terms energy: -477.083468 where: bonds (distance) C4'-P energy: -70.685 bonds (distance) P-C4' energy: -93.314 flat angles C4'-P-C4' energy: -103.786 flat angles P-C4'-P energy: -73.870 tors. eta vs tors. theta energy: -135.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1458.937876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.937876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.937876 (E_RNA) where: Base-Base interactions energy: -1015.889 where: short stacking energy: -396.127 Base-Backbone interact. energy: 1.300 local terms energy: -444.349117 where: bonds (distance) C4'-P energy: -82.928 bonds (distance) P-C4' energy: -96.191 flat angles C4'-P-C4' energy: -92.086 flat angles P-C4'-P energy: -56.745 tors. eta vs tors. theta energy: -116.401 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: 4 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -1364.620134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.620134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.620134 (E_RNA) where: Base-Base interactions energy: -945.379 where: short stacking energy: -371.987 Base-Backbone interact. energy: -2.201 local terms energy: -417.040544 where: bonds (distance) C4'-P energy: -69.684 bonds (distance) P-C4' energy: -86.349 flat angles C4'-P-C4' energy: -88.835 flat angles P-C4'-P energy: -63.695 tors. eta vs tors. theta energy: -108.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1045.363058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.363058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.363058 (E_RNA) where: Base-Base interactions energy: -664.539 where: short stacking energy: -300.661 Base-Backbone interact. energy: 2.224 local terms energy: -383.048687 where: bonds (distance) C4'-P energy: -94.340 bonds (distance) P-C4' energy: -92.698 flat angles C4'-P-C4' energy: -82.875 flat angles P-C4'-P energy: -48.735 tors. eta vs tors. theta energy: -64.401 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: 5 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -995.277680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.277680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.277680 (E_RNA) where: Base-Base interactions energy: -628.699 where: short stacking energy: -271.907 Base-Backbone interact. energy: -3.344 local terms energy: -363.234343 where: bonds (distance) C4'-P energy: -79.895 bonds (distance) P-C4' energy: -85.451 flat angles C4'-P-C4' energy: -91.782 flat angles P-C4'-P energy: -58.560 tors. eta vs tors. theta energy: -47.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -810.194650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.194650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.194650 (E_RNA) where: Base-Base interactions energy: -511.979 where: short stacking energy: -247.143 Base-Backbone interact. energy: 3.211 local terms energy: -301.426918 where: bonds (distance) C4'-P energy: -78.743 bonds (distance) P-C4' energy: -86.680 flat angles C4'-P-C4' energy: -55.893 flat angles P-C4'-P energy: -42.015 tors. eta vs tors. theta energy: -38.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -572.521554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.521554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.521554 (E_RNA) where: Base-Base interactions energy: -284.273 where: short stacking energy: -160.722 Base-Backbone interact. energy: 5.431 local terms energy: -293.679807 where: bonds (distance) C4'-P energy: -83.538 bonds (distance) P-C4' energy: -90.580 flat angles C4'-P-C4' energy: -75.664 flat angles P-C4'-P energy: -45.965 tors. eta vs tors. theta energy: 2.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1743.254855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.254855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.254855 (E_RNA) where: Base-Base interactions energy: -1198.467 where: short stacking energy: -545.571 Base-Backbone interact. energy: -1.995 local terms energy: -542.792538 where: bonds (distance) C4'-P energy: -97.246 bonds (distance) P-C4' energy: -96.013 flat angles C4'-P-C4' energy: -106.783 flat angles P-C4'-P energy: -78.072 tors. eta vs tors. theta energy: -164.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1708.363950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.363950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.363950 (E_RNA) where: Base-Base interactions energy: -1190.605 where: short stacking energy: -491.511 Base-Backbone interact. energy: -0.368 local terms energy: -517.390372 where: bonds (distance) C4'-P energy: -92.067 bonds (distance) P-C4' energy: -99.214 flat angles C4'-P-C4' energy: -109.796 flat angles P-C4'-P energy: -73.409 tors. eta vs tors. theta energy: -142.905 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: 441 Temperature: 1.000000 Total energy: -1640.108632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.108632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.108632 (E_RNA) where: Base-Base interactions energy: -1156.766 where: short stacking energy: -485.383 Base-Backbone interact. energy: -1.081 local terms energy: -482.261749 where: bonds (distance) C4'-P energy: -90.157 bonds (distance) P-C4' energy: -85.908 flat angles C4'-P-C4' energy: -105.569 flat angles P-C4'-P energy: -63.378 tors. eta vs tors. theta energy: -137.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1523.856439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.856439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.856439 (E_RNA) where: Base-Base interactions energy: -1060.223 where: short stacking energy: -434.201 Base-Backbone interact. energy: 1.221 local terms energy: -464.854570 where: bonds (distance) C4'-P energy: -89.518 bonds (distance) P-C4' energy: -98.639 flat angles C4'-P-C4' energy: -98.712 flat angles P-C4'-P energy: -64.268 tors. eta vs tors. theta energy: -113.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1519.978474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.978474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.978474 (E_RNA) where: Base-Base interactions energy: -1056.520 where: short stacking energy: -449.641 Base-Backbone interact. energy: -0.014 local terms energy: -463.444280 where: bonds (distance) C4'-P energy: -74.704 bonds (distance) P-C4' energy: -82.744 flat angles C4'-P-C4' energy: -101.455 flat angles P-C4'-P energy: -72.391 tors. eta vs tors. theta energy: -132.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -1387.487007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.487007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.487007 (E_RNA) where: Base-Base interactions energy: -968.022 where: short stacking energy: -355.344 Base-Backbone interact. energy: 0.773 local terms energy: -420.238017 where: bonds (distance) C4'-P energy: -67.378 bonds (distance) P-C4' energy: -92.931 flat angles C4'-P-C4' energy: -95.148 flat angles P-C4'-P energy: -62.842 tors. eta vs tors. theta energy: -101.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1059.018415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.018415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.018415 (E_RNA) where: Base-Base interactions energy: -702.971 where: short stacking energy: -318.713 Base-Backbone interact. energy: 3.472 local terms energy: -359.518860 where: bonds (distance) C4'-P energy: -78.079 bonds (distance) P-C4' energy: -82.741 flat angles C4'-P-C4' energy: -77.858 flat angles P-C4'-P energy: -54.427 tors. eta vs tors. theta energy: -66.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1007.243012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.243012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.243012 (E_RNA) where: Base-Base interactions energy: -653.130 where: short stacking energy: -284.424 Base-Backbone interact. energy: -1.442 local terms energy: -352.670357 where: bonds (distance) C4'-P energy: -79.108 bonds (distance) P-C4' energy: -83.828 flat angles C4'-P-C4' energy: -88.255 flat angles P-C4'-P energy: -44.357 tors. eta vs tors. theta energy: -57.123 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: 9 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -786.478821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.478821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.478821 (E_RNA) where: Base-Base interactions energy: -499.194 where: short stacking energy: -242.556 Base-Backbone interact. energy: -0.917 local terms energy: -286.368053 where: bonds (distance) C4'-P energy: -68.474 bonds (distance) P-C4' energy: -73.269 flat angles C4'-P-C4' energy: -67.895 flat angles P-C4'-P energy: -42.507 tors. eta vs tors. theta energy: -34.222 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: 3 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -555.536375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.536375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.536375 (E_RNA) where: Base-Base interactions energy: -289.346 where: short stacking energy: -147.373 Base-Backbone interact. energy: 2.824 local terms energy: -269.015010 where: bonds (distance) C4'-P energy: -67.997 bonds (distance) P-C4' energy: -73.508 flat angles C4'-P-C4' energy: -77.952 flat angles P-C4'-P energy: -51.750 tors. eta vs tors. theta energy: 2.192 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: 1, replica: 7 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1740.135148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.135148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.135148 (E_RNA) where: Base-Base interactions energy: -1204.226 where: short stacking energy: -503.775 Base-Backbone interact. energy: -1.442 local terms energy: -534.466724 where: bonds (distance) C4'-P energy: -86.177 bonds (distance) P-C4' energy: -93.406 flat angles C4'-P-C4' energy: -112.159 flat angles P-C4'-P energy: -87.038 tors. eta vs tors. theta energy: -155.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1699.639819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.639819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.639819 (E_RNA) where: Base-Base interactions energy: -1162.848 where: short stacking energy: -529.997 Base-Backbone interact. energy: -2.147 local terms energy: -534.644906 where: bonds (distance) C4'-P energy: -93.737 bonds (distance) P-C4' energy: -97.182 flat angles C4'-P-C4' energy: -108.630 flat angles P-C4'-P energy: -72.881 tors. eta vs tors. theta energy: -162.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1629.323482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.323482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.323482 (E_RNA) where: Base-Base interactions energy: -1136.485 where: short stacking energy: -464.113 Base-Backbone interact. energy: -2.107 local terms energy: -490.731386 where: bonds (distance) C4'-P energy: -88.376 bonds (distance) P-C4' energy: -102.231 flat angles C4'-P-C4' energy: -101.357 flat angles P-C4'-P energy: -57.932 tors. eta vs tors. theta energy: -140.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1506.032423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.032423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.032423 (E_RNA) where: Base-Base interactions energy: -1062.062 where: short stacking energy: -445.021 Base-Backbone interact. energy: 3.552 local terms energy: -447.521846 where: bonds (distance) C4'-P energy: -81.363 bonds (distance) P-C4' energy: -76.317 flat angles C4'-P-C4' energy: -103.346 flat angles P-C4'-P energy: -58.396 tors. eta vs tors. theta energy: -128.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -1528.075375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.075375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.075375 (E_RNA) where: Base-Base interactions energy: -1062.498 where: short stacking energy: -464.248 Base-Backbone interact. energy: -1.970 local terms energy: -463.606969 where: bonds (distance) C4'-P energy: -83.159 bonds (distance) P-C4' energy: -82.110 flat angles C4'-P-C4' energy: -99.577 flat angles P-C4'-P energy: -70.442 tors. eta vs tors. theta energy: -128.320 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: 4 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1396.709615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.709615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.709615 (E_RNA) where: Base-Base interactions energy: -992.780 where: short stacking energy: -401.783 Base-Backbone interact. energy: 0.017 local terms energy: -403.946693 where: bonds (distance) C4'-P energy: -76.791 bonds (distance) P-C4' energy: -77.932 flat angles C4'-P-C4' energy: -83.336 flat angles P-C4'-P energy: -63.359 tors. eta vs tors. theta energy: -102.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1048.358201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.358201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.358201 (E_RNA) where: Base-Base interactions energy: -684.834 where: short stacking energy: -313.789 Base-Backbone interact. energy: -0.696 local terms energy: -362.828178 where: bonds (distance) C4'-P energy: -69.380 bonds (distance) P-C4' energy: -77.116 flat angles C4'-P-C4' energy: -88.372 flat angles P-C4'-P energy: -56.349 tors. eta vs tors. theta energy: -71.611 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: 8, replica: 5 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -958.111530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.111530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.111530 (E_RNA) where: Base-Base interactions energy: -634.151 where: short stacking energy: -277.808 Base-Backbone interact. energy: 4.059 local terms energy: -328.019491 where: bonds (distance) C4'-P energy: -61.141 bonds (distance) P-C4' energy: -80.606 flat angles C4'-P-C4' energy: -79.639 flat angles P-C4'-P energy: -56.945 tors. eta vs tors. theta energy: -49.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -754.181550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.181550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.181550 (E_RNA) where: Base-Base interactions energy: -453.615 where: short stacking energy: -219.779 Base-Backbone interact. energy: -2.666 local terms energy: -297.900234 where: bonds (distance) C4'-P energy: -78.886 bonds (distance) P-C4' energy: -73.587 flat angles C4'-P-C4' energy: -82.993 flat angles P-C4'-P energy: -35.678 tors. eta vs tors. theta energy: -26.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -575.952355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.952355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.952355 (E_RNA) where: Base-Base interactions energy: -284.955 where: short stacking energy: -150.974 Base-Backbone interact. energy: 3.002 local terms energy: -293.999926 where: bonds (distance) C4'-P energy: -70.037 bonds (distance) P-C4' energy: -80.836 flat angles C4'-P-C4' energy: -85.958 flat angles P-C4'-P energy: -42.369 tors. eta vs tors. theta energy: -14.800 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: 1, replica: 7 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1744.249803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.249803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.249803 (E_RNA) where: Base-Base interactions energy: -1211.014 where: short stacking energy: -508.912 Base-Backbone interact. energy: -2.325 local terms energy: -530.910939 where: bonds (distance) C4'-P energy: -88.008 bonds (distance) P-C4' energy: -97.545 flat angles C4'-P-C4' energy: -115.581 flat angles P-C4'-P energy: -71.551 tors. eta vs tors. theta energy: -158.225 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: 2, replica: 6 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1684.164866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.164866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.164866 (E_RNA) where: Base-Base interactions energy: -1143.818 where: short stacking energy: -498.437 Base-Backbone interact. energy: -0.164 local terms energy: -540.183533 where: bonds (distance) C4'-P energy: -110.000 bonds (distance) P-C4' energy: -95.236 flat angles C4'-P-C4' energy: -112.946 flat angles P-C4'-P energy: -67.942 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: 3, replica: 2 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1624.685934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.685934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.685934 (E_RNA) where: Base-Base interactions energy: -1155.378 where: short stacking energy: -472.919 Base-Backbone interact. energy: -1.515 local terms energy: -467.793061 where: bonds (distance) C4'-P energy: -74.632 bonds (distance) P-C4' energy: -85.349 flat angles C4'-P-C4' energy: -93.429 flat angles P-C4'-P energy: -70.642 tors. eta vs tors. theta energy: -143.741 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: 8 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1553.854387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.854387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.854387 (E_RNA) where: Base-Base interactions energy: -1067.746 where: short stacking energy: -468.452 Base-Backbone interact. energy: -2.316 local terms energy: -483.792369 where: bonds (distance) C4'-P energy: -75.831 bonds (distance) P-C4' energy: -87.820 flat angles C4'-P-C4' energy: -110.412 flat angles P-C4'-P energy: -70.608 tors. eta vs tors. theta energy: -139.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -1504.090735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.090735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.090735 (E_RNA) where: Base-Base interactions energy: -1049.878 where: short stacking energy: -422.519 Base-Backbone interact. energy: -1.594 local terms energy: -452.619580 where: bonds (distance) C4'-P energy: -74.074 bonds (distance) P-C4' energy: -87.337 flat angles C4'-P-C4' energy: -102.153 flat angles P-C4'-P energy: -67.357 tors. eta vs tors. theta energy: -121.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1356.594371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.594371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.594371 (E_RNA) where: Base-Base interactions energy: -950.814 where: short stacking energy: -380.066 Base-Backbone interact. energy: -0.303 local terms energy: -405.476991 where: bonds (distance) C4'-P energy: -75.531 bonds (distance) P-C4' energy: -74.025 flat angles C4'-P-C4' energy: -99.784 flat angles P-C4'-P energy: -55.354 tors. eta vs tors. theta energy: -100.783 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: 1 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1019.345978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.345978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.345978 (E_RNA) where: Base-Base interactions energy: -654.008 where: short stacking energy: -321.140 Base-Backbone interact. energy: 5.419 local terms energy: -370.756967 where: bonds (distance) C4'-P energy: -76.211 bonds (distance) P-C4' energy: -84.685 flat angles C4'-P-C4' energy: -98.719 flat angles P-C4'-P energy: -54.217 tors. eta vs tors. theta energy: -56.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -944.122619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.122619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.122619 (E_RNA) where: Base-Base interactions energy: -579.540 where: short stacking energy: -269.036 Base-Backbone interact. energy: -2.751 local terms energy: -361.831313 where: bonds (distance) C4'-P energy: -76.531 bonds (distance) P-C4' energy: -100.768 flat angles C4'-P-C4' energy: -93.105 flat angles P-C4'-P energy: -51.321 tors. eta vs tors. theta energy: -40.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -775.306360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.306360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.306360 (E_RNA) where: Base-Base interactions energy: -455.676 where: short stacking energy: -219.741 Base-Backbone interact. energy: 2.134 local terms energy: -321.763862 where: bonds (distance) C4'-P energy: -83.838 bonds (distance) P-C4' energy: -85.936 flat angles C4'-P-C4' energy: -56.188 flat angles P-C4'-P energy: -59.502 tors. eta vs tors. theta energy: -36.301 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: 10, replica: 3 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -606.498042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.498042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.498042 (E_RNA) where: Base-Base interactions energy: -337.703 where: short stacking energy: -187.975 Base-Backbone interact. energy: -1.077 local terms energy: -267.718165 where: bonds (distance) C4'-P energy: -70.594 bonds (distance) P-C4' energy: -72.941 flat angles C4'-P-C4' energy: -77.575 flat angles P-C4'-P energy: -32.047 tors. eta vs tors. theta energy: -14.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1744.367783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.367783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.367783 (E_RNA) where: Base-Base interactions energy: -1220.837 where: short stacking energy: -532.827 Base-Backbone interact. energy: -2.082 local terms energy: -521.448230 where: bonds (distance) C4'-P energy: -88.844 bonds (distance) P-C4' energy: -85.751 flat angles C4'-P-C4' energy: -118.882 flat angles P-C4'-P energy: -81.062 tors. eta vs tors. theta energy: -146.909 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: 6 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1686.674433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.674433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.674433 (E_RNA) where: Base-Base interactions energy: -1153.089 where: short stacking energy: -525.434 Base-Backbone interact. energy: -1.931 local terms energy: -531.653935 where: bonds (distance) C4'-P energy: -100.582 bonds (distance) P-C4' energy: -92.246 flat angles C4'-P-C4' energy: -98.663 flat angles P-C4'-P energy: -73.771 tors. eta vs tors. theta energy: -166.392 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: 3, replica: 2 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1625.433937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.433937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.433937 (E_RNA) where: Base-Base interactions energy: -1110.928 where: short stacking energy: -473.176 Base-Backbone interact. energy: -0.239 local terms energy: -514.266481 where: bonds (distance) C4'-P energy: -87.894 bonds (distance) P-C4' energy: -90.767 flat angles C4'-P-C4' energy: -115.755 flat angles P-C4'-P energy: -78.942 tors. eta vs tors. theta energy: -140.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1554.492525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.492525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.492525 (E_RNA) where: Base-Base interactions energy: -1086.141 where: short stacking energy: -458.008 Base-Backbone interact. energy: 0.751 local terms energy: -469.101777 where: bonds (distance) C4'-P energy: -90.192 bonds (distance) P-C4' energy: -84.968 flat angles C4'-P-C4' energy: -97.369 flat angles P-C4'-P energy: -66.682 tors. eta vs tors. theta energy: -129.890 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: 10 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1430.035039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.035039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.035039 (E_RNA) where: Base-Base interactions energy: -1009.817 where: short stacking energy: -385.455 Base-Backbone interact. energy: -2.244 local terms energy: -417.974233 where: bonds (distance) C4'-P energy: -82.274 bonds (distance) P-C4' energy: -82.471 flat angles C4'-P-C4' energy: -80.775 flat angles P-C4'-P energy: -64.097 tors. eta vs tors. theta energy: -108.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1372.801023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.801023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.801023 (E_RNA) where: Base-Base interactions energy: -978.491 where: short stacking energy: -397.761 Base-Backbone interact. energy: 3.098 local terms energy: -397.408382 where: bonds (distance) C4'-P energy: -73.908 bonds (distance) P-C4' energy: -78.338 flat angles C4'-P-C4' energy: -93.345 flat angles P-C4'-P energy: -55.251 tors. eta vs tors. theta energy: -96.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1029.765821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.765821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.765821 (E_RNA) where: Base-Base interactions energy: -636.811 where: short stacking energy: -309.706 Base-Backbone interact. energy: -3.523 local terms energy: -389.432113 where: bonds (distance) C4'-P energy: -75.322 bonds (distance) P-C4' energy: -92.018 flat angles C4'-P-C4' energy: -96.600 flat angles P-C4'-P energy: -66.222 tors. eta vs tors. theta energy: -59.271 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: 8, replica: 1 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -961.226093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.226093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.226093 (E_RNA) where: Base-Base interactions energy: -580.998 where: short stacking energy: -269.606 Base-Backbone interact. energy: -1.663 local terms energy: -378.564583 where: bonds (distance) C4'-P energy: -71.779 bonds (distance) P-C4' energy: -87.358 flat angles C4'-P-C4' energy: -95.865 flat angles P-C4'-P energy: -53.326 tors. eta vs tors. theta energy: -70.237 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: 9 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -761.913750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.913750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.913750 (E_RNA) where: Base-Base interactions energy: -430.378 where: short stacking energy: -206.644 Base-Backbone interact. energy: -2.124 local terms energy: -329.411806 where: bonds (distance) C4'-P energy: -79.163 bonds (distance) P-C4' energy: -73.377 flat angles C4'-P-C4' energy: -87.508 flat angles P-C4'-P energy: -55.916 tors. eta vs tors. theta energy: -33.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -525.705103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.705103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.705103 (E_RNA) where: Base-Base interactions energy: -287.864 where: short stacking energy: -155.156 Base-Backbone interact. energy: 2.990 local terms energy: -240.830809 where: bonds (distance) C4'-P energy: -72.128 bonds (distance) P-C4' energy: -77.437 flat angles C4'-P-C4' energy: -55.872 flat angles P-C4'-P energy: -41.605 tors. eta vs tors. theta energy: 6.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1738.556203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.556203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.556203 (E_RNA) where: Base-Base interactions energy: -1224.263 where: short stacking energy: -503.377 Base-Backbone interact. energy: 0.113 local terms energy: -514.407045 where: bonds (distance) C4'-P energy: -95.119 bonds (distance) P-C4' energy: -91.112 flat angles C4'-P-C4' energy: -107.729 flat angles P-C4'-P energy: -68.721 tors. eta vs tors. theta energy: -151.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1681.832265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.832265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.832265 (E_RNA) where: Base-Base interactions energy: -1158.528 where: short stacking energy: -496.533 Base-Backbone interact. energy: -2.030 local terms energy: -521.274769 where: bonds (distance) C4'-P energy: -95.775 bonds (distance) P-C4' energy: -89.875 flat angles C4'-P-C4' energy: -110.536 flat angles P-C4'-P energy: -74.544 tors. eta vs tors. theta energy: -150.545 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: 445 Temperature: 1.000000 Total energy: -1619.724702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.724702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.724702 (E_RNA) where: Base-Base interactions energy: -1143.015 where: short stacking energy: -469.274 Base-Backbone interact. energy: 0.023 local terms energy: -476.732696 where: bonds (distance) C4'-P energy: -81.265 bonds (distance) P-C4' energy: -86.987 flat angles C4'-P-C4' energy: -104.493 flat angles P-C4'-P energy: -66.785 tors. eta vs tors. theta energy: -137.203 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: 8 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1574.861048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.861048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.861048 (E_RNA) where: Base-Base interactions energy: -1098.519 where: short stacking energy: -471.035 Base-Backbone interact. energy: -1.647 local terms energy: -474.694978 where: bonds (distance) C4'-P energy: -76.102 bonds (distance) P-C4' energy: -88.082 flat angles C4'-P-C4' energy: -105.826 flat angles P-C4'-P energy: -70.159 tors. eta vs tors. theta energy: -134.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1423.165846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.165846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.165846 (E_RNA) where: Base-Base interactions energy: -992.421 where: short stacking energy: -410.130 Base-Backbone interact. energy: -2.146 local terms energy: -428.599380 where: bonds (distance) C4'-P energy: -85.490 bonds (distance) P-C4' energy: -74.442 flat angles C4'-P-C4' energy: -93.912 flat angles P-C4'-P energy: -67.207 tors. eta vs tors. theta energy: -107.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1420.967785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.967785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.967785 (E_RNA) where: Base-Base interactions energy: -1000.965 where: short stacking energy: -399.812 Base-Backbone interact. energy: 1.709 local terms energy: -421.711583 where: bonds (distance) C4'-P energy: -85.337 bonds (distance) P-C4' energy: -85.650 flat angles C4'-P-C4' energy: -84.836 flat angles P-C4'-P energy: -62.142 tors. eta vs tors. theta energy: -103.747 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: 5 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1030.920033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.920033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.920033 (E_RNA) where: Base-Base interactions energy: -646.369 where: short stacking energy: -288.102 Base-Backbone interact. energy: -2.822 local terms energy: -381.729853 where: bonds (distance) C4'-P energy: -86.017 bonds (distance) P-C4' energy: -83.240 flat angles C4'-P-C4' energy: -93.611 flat angles P-C4'-P energy: -58.825 tors. eta vs tors. theta energy: -60.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -921.708973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.708973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.708973 (E_RNA) where: Base-Base interactions energy: -569.761 where: short stacking energy: -267.224 Base-Backbone interact. energy: 2.109 local terms energy: -354.057160 where: bonds (distance) C4'-P energy: -64.603 bonds (distance) P-C4' energy: -79.762 flat angles C4'-P-C4' energy: -85.051 flat angles P-C4'-P energy: -60.251 tors. eta vs tors. theta energy: -64.390 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: 9 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -753.509513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.509513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.509513 (E_RNA) where: Base-Base interactions energy: -440.802 where: short stacking energy: -217.397 Base-Backbone interact. energy: 0.534 local terms energy: -313.241583 where: bonds (distance) C4'-P energy: -81.353 bonds (distance) P-C4' energy: -77.746 flat angles C4'-P-C4' energy: -83.208 flat angles P-C4'-P energy: -44.248 tors. eta vs tors. theta energy: -26.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -565.471315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.471315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.471315 (E_RNA) where: Base-Base interactions energy: -292.174 where: short stacking energy: -154.329 Base-Backbone interact. energy: -2.775 local terms energy: -270.522621 where: bonds (distance) C4'-P energy: -80.590 bonds (distance) P-C4' energy: -80.393 flat angles C4'-P-C4' energy: -63.805 flat angles P-C4'-P energy: -45.418 tors. eta vs tors. theta energy: -0.316 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: 7 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1746.231703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.231703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.231703 (E_RNA) where: Base-Base interactions energy: -1194.963 where: short stacking energy: -506.606 Base-Backbone interact. energy: -2.026 local terms energy: -549.243215 where: bonds (distance) C4'-P energy: -98.177 bonds (distance) P-C4' energy: -105.569 flat angles C4'-P-C4' energy: -118.236 flat angles P-C4'-P energy: -73.331 tors. eta vs tors. theta energy: -153.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1701.709675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.709675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.709675 (E_RNA) where: Base-Base interactions energy: -1167.688 where: short stacking energy: -520.751 Base-Backbone interact. energy: -2.209 local terms energy: -531.812959 where: bonds (distance) C4'-P energy: -95.685 bonds (distance) P-C4' energy: -86.013 flat angles C4'-P-C4' energy: -117.867 flat angles P-C4'-P energy: -72.509 tors. eta vs tors. theta energy: -159.740 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: 3, replica: 8 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1581.851276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.851276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.851276 (E_RNA) where: Base-Base interactions energy: -1080.269 where: short stacking energy: -465.595 Base-Backbone interact. energy: -0.670 local terms energy: -500.912441 where: bonds (distance) C4'-P energy: -103.101 bonds (distance) P-C4' energy: -86.260 flat angles C4'-P-C4' energy: -96.496 flat angles P-C4'-P energy: -75.434 tors. eta vs tors. theta energy: -139.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1597.593859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.593859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.593859 (E_RNA) where: Base-Base interactions energy: -1114.864 where: short stacking energy: -462.946 Base-Backbone interact. energy: 1.702 local terms energy: -484.431114 where: bonds (distance) C4'-P energy: -97.457 bonds (distance) P-C4' energy: -79.781 flat angles C4'-P-C4' energy: -99.363 flat angles P-C4'-P energy: -73.186 tors. eta vs tors. theta energy: -134.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -1421.942640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.942640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.942640 (E_RNA) where: Base-Base interactions energy: -996.858 where: short stacking energy: -392.211 Base-Backbone interact. energy: 1.808 local terms energy: -426.892940 where: bonds (distance) C4'-P energy: -84.605 bonds (distance) P-C4' energy: -84.754 flat angles C4'-P-C4' energy: -93.254 flat angles P-C4'-P energy: -61.112 tors. eta vs tors. theta energy: -103.168 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: 10 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -1386.299877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.299877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.299877 (E_RNA) where: Base-Base interactions energy: -965.983 where: short stacking energy: -380.248 Base-Backbone interact. energy: -0.637 local terms energy: -419.679471 where: bonds (distance) C4'-P energy: -82.244 bonds (distance) P-C4' energy: -94.174 flat angles C4'-P-C4' energy: -93.309 flat angles P-C4'-P energy: -49.655 tors. eta vs tors. theta energy: -100.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -983.405355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.405355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.405355 (E_RNA) where: Base-Base interactions energy: -619.518 where: short stacking energy: -289.910 Base-Backbone interact. energy: -0.420 local terms energy: -363.467645 where: bonds (distance) C4'-P energy: -80.556 bonds (distance) P-C4' energy: -88.421 flat angles C4'-P-C4' energy: -66.111 flat angles P-C4'-P energy: -62.037 tors. eta vs tors. theta energy: -66.343 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: 1 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -930.806944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.806944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.806944 (E_RNA) where: Base-Base interactions energy: -592.305 where: short stacking energy: -280.699 Base-Backbone interact. energy: -2.984 local terms energy: -335.518149 where: bonds (distance) C4'-P energy: -82.569 bonds (distance) P-C4' energy: -88.935 flat angles C4'-P-C4' energy: -79.246 flat angles P-C4'-P energy: -45.728 tors. eta vs tors. theta energy: -39.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -774.532128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.532128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.532128 (E_RNA) where: Base-Base interactions energy: -490.011 where: short stacking energy: -238.579 Base-Backbone interact. energy: 3.761 local terms energy: -288.282190 where: bonds (distance) C4'-P energy: -63.120 bonds (distance) P-C4' energy: -89.568 flat angles C4'-P-C4' energy: -65.413 flat angles P-C4'-P energy: -39.042 tors. eta vs tors. theta energy: -31.140 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: 3 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -553.571567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.571567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.571567 (E_RNA) where: Base-Base interactions energy: -271.081 where: short stacking energy: -141.334 Base-Backbone interact. energy: -0.724 local terms energy: -281.766530 where: bonds (distance) C4'-P energy: -80.710 bonds (distance) P-C4' energy: -79.060 flat angles C4'-P-C4' energy: -73.331 flat angles P-C4'-P energy: -40.219 tors. eta vs tors. theta energy: -8.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1708.082237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.082237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.082237 (E_RNA) where: Base-Base interactions energy: -1191.393 where: short stacking energy: -488.713 Base-Backbone interact. energy: -1.173 local terms energy: -515.515773 where: bonds (distance) C4'-P energy: -99.147 bonds (distance) P-C4' energy: -96.523 flat angles C4'-P-C4' energy: -105.649 flat angles P-C4'-P energy: -65.991 tors. eta vs tors. theta energy: -148.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1698.209488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.209488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.209488 (E_RNA) where: Base-Base interactions energy: -1150.609 where: short stacking energy: -520.724 Base-Backbone interact. energy: -0.173 local terms energy: -547.427929 where: bonds (distance) C4'-P energy: -85.294 bonds (distance) P-C4' energy: -102.818 flat angles C4'-P-C4' energy: -114.737 flat angles P-C4'-P energy: -79.462 tors. eta vs tors. theta energy: -165.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1539.192599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.192599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.192599 (E_RNA) where: Base-Base interactions energy: -1058.919 where: short stacking energy: -448.059 Base-Backbone interact. energy: -2.589 local terms energy: -477.685177 where: bonds (distance) C4'-P energy: -91.768 bonds (distance) P-C4' energy: -91.932 flat angles C4'-P-C4' energy: -99.034 flat angles P-C4'-P energy: -66.009 tors. eta vs tors. theta energy: -128.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1609.269102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.269102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.269102 (E_RNA) where: Base-Base interactions energy: -1104.548 where: short stacking energy: -442.200 Base-Backbone interact. energy: -2.708 local terms energy: -502.013915 where: bonds (distance) C4'-P energy: -85.352 bonds (distance) P-C4' energy: -103.334 flat angles C4'-P-C4' energy: -108.296 flat angles P-C4'-P energy: -76.113 tors. eta vs tors. theta energy: -128.919 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: 4 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -1503.349551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.349551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.349551 (E_RNA) where: Base-Base interactions energy: -1059.341 where: short stacking energy: -442.348 Base-Backbone interact. energy: -1.564 local terms energy: -442.445226 where: bonds (distance) C4'-P energy: -85.228 bonds (distance) P-C4' energy: -71.518 flat angles C4'-P-C4' energy: -85.670 flat angles P-C4'-P energy: -69.248 tors. eta vs tors. theta energy: -130.781 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: 10 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1365.063941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.063941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.063941 (E_RNA) where: Base-Base interactions energy: -929.609 where: short stacking energy: -396.335 Base-Backbone interact. energy: -1.401 local terms energy: -434.053992 where: bonds (distance) C4'-P energy: -83.060 bonds (distance) P-C4' energy: -83.258 flat angles C4'-P-C4' energy: -92.648 flat angles P-C4'-P energy: -50.370 tors. eta vs tors. theta energy: -124.718 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: 5 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -992.877401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.877401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.877401 (E_RNA) where: Base-Base interactions energy: -632.126 where: short stacking energy: -294.064 Base-Backbone interact. energy: -0.015 local terms energy: -360.736708 where: bonds (distance) C4'-P energy: -93.485 bonds (distance) P-C4' energy: -85.097 flat angles C4'-P-C4' energy: -84.421 flat angles P-C4'-P energy: -39.401 tors. eta vs tors. theta energy: -58.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -966.617750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.617750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.617750 (E_RNA) where: Base-Base interactions energy: -618.809 where: short stacking energy: -281.276 Base-Backbone interact. energy: -1.175 local terms energy: -346.634238 where: bonds (distance) C4'-P energy: -71.122 bonds (distance) P-C4' energy: -77.209 flat angles C4'-P-C4' energy: -80.663 flat angles P-C4'-P energy: -60.104 tors. eta vs tors. theta energy: -57.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -733.343298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.343298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.343298 (E_RNA) where: Base-Base interactions energy: -415.400 where: short stacking energy: -214.105 Base-Backbone interact. energy: -1.480 local terms energy: -316.463388 where: bonds (distance) C4'-P energy: -77.364 bonds (distance) P-C4' energy: -80.031 flat angles C4'-P-C4' energy: -83.547 flat angles P-C4'-P energy: -42.565 tors. eta vs tors. theta energy: -32.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -583.568753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.568753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.568753 (E_RNA) where: Base-Base interactions energy: -290.861 where: short stacking energy: -180.223 Base-Backbone interact. energy: -2.456 local terms energy: -290.251171 where: bonds (distance) C4'-P energy: -62.834 bonds (distance) P-C4' energy: -77.717 flat angles C4'-P-C4' energy: -71.195 flat angles P-C4'-P energy: -55.011 tors. eta vs tors. theta energy: -23.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1733.886415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.886415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.886415 (E_RNA) where: Base-Base interactions energy: -1196.116 where: short stacking energy: -503.482 Base-Backbone interact. energy: 1.166 local terms energy: -538.936648 where: bonds (distance) C4'-P energy: -102.875 bonds (distance) P-C4' energy: -96.230 flat angles C4'-P-C4' energy: -111.248 flat angles P-C4'-P energy: -74.500 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: 2, replica: 6 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1711.049999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.049999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.049999 (E_RNA) where: Base-Base interactions energy: -1166.150 where: short stacking energy: -515.963 Base-Backbone interact. energy: 2.772 local terms energy: -547.671144 where: bonds (distance) C4'-P energy: -95.903 bonds (distance) P-C4' energy: -100.267 flat angles C4'-P-C4' energy: -113.821 flat angles P-C4'-P energy: -77.323 tors. eta vs tors. theta energy: -160.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1621.392739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.392739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.392739 (E_RNA) where: Base-Base interactions energy: -1140.520 where: short stacking energy: -507.045 Base-Backbone interact. energy: -1.469 local terms energy: -479.403718 where: bonds (distance) C4'-P energy: -101.314 bonds (distance) P-C4' energy: -75.878 flat angles C4'-P-C4' energy: -102.996 flat angles P-C4'-P energy: -57.095 tors. eta vs tors. theta energy: -142.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1570.441776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.441776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.441776 (E_RNA) where: Base-Base interactions energy: -1074.311 where: short stacking energy: -464.952 Base-Backbone interact. energy: -1.755 local terms energy: -494.374971 where: bonds (distance) C4'-P energy: -83.815 bonds (distance) P-C4' energy: -92.478 flat angles C4'-P-C4' energy: -99.032 flat angles P-C4'-P energy: -81.232 tors. eta vs tors. theta energy: -137.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -1463.054219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.054219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.054219 (E_RNA) where: Base-Base interactions energy: -1035.453 where: short stacking energy: -429.967 Base-Backbone interact. energy: 5.385 local terms energy: -432.986239 where: bonds (distance) C4'-P energy: -83.032 bonds (distance) P-C4' energy: -66.190 flat angles C4'-P-C4' energy: -91.148 flat angles P-C4'-P energy: -66.826 tors. eta vs tors. theta energy: -125.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1429.724986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.724986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.724986 (E_RNA) where: Base-Base interactions energy: -973.432 where: short stacking energy: -417.778 Base-Backbone interact. energy: 1.202 local terms energy: -457.494160 where: bonds (distance) C4'-P energy: -80.976 bonds (distance) P-C4' energy: -97.943 flat angles C4'-P-C4' energy: -93.506 flat angles P-C4'-P energy: -65.401 tors. eta vs tors. theta energy: -119.668 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: 5 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1042.685847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.685847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.685847 (E_RNA) where: Base-Base interactions energy: -665.622 where: short stacking energy: -299.035 Base-Backbone interact. energy: -1.185 local terms energy: -375.878328 where: bonds (distance) C4'-P energy: -72.568 bonds (distance) P-C4' energy: -94.725 flat angles C4'-P-C4' energy: -95.909 flat angles P-C4'-P energy: -51.725 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: 1 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -949.826242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.826242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.826242 (E_RNA) where: Base-Base interactions energy: -596.170 where: short stacking energy: -272.019 Base-Backbone interact. energy: -0.708 local terms energy: -352.948293 where: bonds (distance) C4'-P energy: -77.428 bonds (distance) P-C4' energy: -88.993 flat angles C4'-P-C4' energy: -88.918 flat angles P-C4'-P energy: -48.541 tors. eta vs tors. theta energy: -49.069 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: 9 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -757.190660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.190660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.190660 (E_RNA) where: Base-Base interactions energy: -460.224 where: short stacking energy: -233.758 Base-Backbone interact. energy: 0.955 local terms energy: -297.921287 where: bonds (distance) C4'-P energy: -79.670 bonds (distance) P-C4' energy: -67.692 flat angles C4'-P-C4' energy: -87.802 flat angles P-C4'-P energy: -37.040 tors. eta vs tors. theta energy: -25.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -582.300490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.300490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.300490 (E_RNA) where: Base-Base interactions energy: -325.296 where: short stacking energy: -160.754 Base-Backbone interact. energy: -2.782 local terms energy: -254.221898 where: bonds (distance) C4'-P energy: -82.169 bonds (distance) P-C4' energy: -84.761 flat angles C4'-P-C4' energy: -59.390 flat angles P-C4'-P energy: -23.968 tors. eta vs tors. theta energy: -3.933 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: 1, replica: 7 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1728.771904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.771904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.771904 (E_RNA) where: Base-Base interactions energy: -1189.190 where: short stacking energy: -509.624 Base-Backbone interact. energy: -1.509 local terms energy: -538.073061 where: bonds (distance) C4'-P energy: -100.245 bonds (distance) P-C4' energy: -100.651 flat angles C4'-P-C4' energy: -112.727 flat angles P-C4'-P energy: -71.960 tors. eta vs tors. theta energy: -152.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1707.504493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.504493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.504493 (E_RNA) where: Base-Base interactions energy: -1172.961 where: short stacking energy: -518.633 Base-Backbone interact. energy: -2.526 local terms energy: -532.016819 where: bonds (distance) C4'-P energy: -82.833 bonds (distance) P-C4' energy: -105.686 flat angles C4'-P-C4' energy: -111.672 flat angles P-C4'-P energy: -77.213 tors. eta vs tors. theta energy: -154.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1646.150408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.150408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.150408 (E_RNA) where: Base-Base interactions energy: -1132.784 where: short stacking energy: -491.402 Base-Backbone interact. energy: -1.512 local terms energy: -511.854176 where: bonds (distance) C4'-P energy: -97.563 bonds (distance) P-C4' energy: -88.822 flat angles C4'-P-C4' energy: -106.534 flat angles P-C4'-P energy: -70.416 tors. eta vs tors. theta energy: -148.520 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: 8 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1540.981674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.981674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.981674 (E_RNA) where: Base-Base interactions energy: -1044.605 where: short stacking energy: -441.998 Base-Backbone interact. energy: -0.428 local terms energy: -495.949077 where: bonds (distance) C4'-P energy: -87.050 bonds (distance) P-C4' energy: -87.129 flat angles C4'-P-C4' energy: -106.388 flat angles P-C4'-P energy: -85.993 tors. eta vs tors. theta energy: -129.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1504.256465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.256465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.256465 (E_RNA) where: Base-Base interactions energy: -1062.956 where: short stacking energy: -437.960 Base-Backbone interact. energy: -0.605 local terms energy: -440.695903 where: bonds (distance) C4'-P energy: -84.472 bonds (distance) P-C4' energy: -78.857 flat angles C4'-P-C4' energy: -90.375 flat angles P-C4'-P energy: -69.380 tors. eta vs tors. theta energy: -117.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -1441.914026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.914026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.914026 (E_RNA) where: Base-Base interactions energy: -981.357 where: short stacking energy: -415.692 Base-Backbone interact. energy: -2.761 local terms energy: -457.795999 where: bonds (distance) C4'-P energy: -94.749 bonds (distance) P-C4' energy: -96.245 flat angles C4'-P-C4' energy: -89.178 flat angles P-C4'-P energy: -56.126 tors. eta vs tors. theta energy: -121.498 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: 5 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1045.855235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.855235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.855235 (E_RNA) where: Base-Base interactions energy: -666.007 where: short stacking energy: -310.155 Base-Backbone interact. energy: -4.406 local terms energy: -375.441444 where: bonds (distance) C4'-P energy: -79.301 bonds (distance) P-C4' energy: -92.956 flat angles C4'-P-C4' energy: -76.776 flat angles P-C4'-P energy: -61.062 tors. eta vs tors. theta energy: -65.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -915.376051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.376051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.376051 (E_RNA) where: Base-Base interactions energy: -552.682 where: short stacking energy: -270.926 Base-Backbone interact. energy: 1.658 local terms energy: -364.351506 where: bonds (distance) C4'-P energy: -85.591 bonds (distance) P-C4' energy: -99.444 flat angles C4'-P-C4' energy: -85.435 flat angles P-C4'-P energy: -45.102 tors. eta vs tors. theta energy: -48.780 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: 9 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -758.715281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.715281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.715281 (E_RNA) where: Base-Base interactions energy: -423.945 where: short stacking energy: -218.319 Base-Backbone interact. energy: -0.092 local terms energy: -334.677672 where: bonds (distance) C4'-P energy: -82.733 bonds (distance) P-C4' energy: -77.176 flat angles C4'-P-C4' energy: -79.232 flat angles P-C4'-P energy: -62.267 tors. eta vs tors. theta energy: -33.270 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: 3 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -567.709778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.709778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.709778 (E_RNA) where: Base-Base interactions energy: -282.381 where: short stacking energy: -154.180 Base-Backbone interact. energy: 0.246 local terms energy: -285.575262 where: bonds (distance) C4'-P energy: -75.838 bonds (distance) P-C4' energy: -87.547 flat angles C4'-P-C4' energy: -66.465 flat angles P-C4'-P energy: -50.000 tors. eta vs tors. theta energy: -5.724 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: 7 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1728.655896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.655896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.655896 (E_RNA) where: Base-Base interactions energy: -1199.304 where: short stacking energy: -491.413 Base-Backbone interact. energy: -1.677 local terms energy: -527.675555 where: bonds (distance) C4'-P energy: -97.104 bonds (distance) P-C4' energy: -99.912 flat angles C4'-P-C4' energy: -113.360 flat angles P-C4'-P energy: -71.363 tors. eta vs tors. theta energy: -145.937 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: 6 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1684.503347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.503347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.503347 (E_RNA) where: Base-Base interactions energy: -1146.328 where: short stacking energy: -524.904 Base-Backbone interact. energy: -2.138 local terms energy: -536.037348 where: bonds (distance) C4'-P energy: -86.750 bonds (distance) P-C4' energy: -99.843 flat angles C4'-P-C4' energy: -114.992 flat angles P-C4'-P energy: -78.592 tors. eta vs tors. theta energy: -155.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1631.648858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.648858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.648858 (E_RNA) where: Base-Base interactions energy: -1151.416 where: short stacking energy: -473.807 Base-Backbone interact. energy: -0.152 local terms energy: -480.081354 where: bonds (distance) C4'-P energy: -88.574 bonds (distance) P-C4' energy: -78.848 flat angles C4'-P-C4' energy: -104.920 flat angles P-C4'-P energy: -63.296 tors. eta vs tors. theta energy: -144.442 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: 4, replica: 8 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1561.280938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.280938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.280938 (E_RNA) where: Base-Base interactions energy: -1083.467 where: short stacking energy: -460.999 Base-Backbone interact. energy: -4.141 local terms energy: -473.673139 where: bonds (distance) C4'-P energy: -76.521 bonds (distance) P-C4' energy: -86.019 flat angles C4'-P-C4' energy: -105.956 flat angles P-C4'-P energy: -68.992 tors. eta vs tors. theta energy: -136.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1490.458716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.458716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.458716 (E_RNA) where: Base-Base interactions energy: -1030.183 where: short stacking energy: -414.056 Base-Backbone interact. energy: -2.523 local terms energy: -457.752179 where: bonds (distance) C4'-P energy: -89.762 bonds (distance) P-C4' energy: -80.907 flat angles C4'-P-C4' energy: -104.245 flat angles P-C4'-P energy: -59.205 tors. eta vs tors. theta energy: -123.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1408.099088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.099088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.099088 (E_RNA) where: Base-Base interactions energy: -973.566 where: short stacking energy: -402.760 Base-Backbone interact. energy: -2.878 local terms energy: -431.655164 where: bonds (distance) C4'-P energy: -73.849 bonds (distance) P-C4' energy: -75.930 flat angles C4'-P-C4' energy: -98.206 flat angles P-C4'-P energy: -72.794 tors. eta vs tors. theta energy: -110.876 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: 5 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1077.958715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.958715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.958715 (E_RNA) where: Base-Base interactions energy: -710.363 where: short stacking energy: -313.572 Base-Backbone interact. energy: 1.146 local terms energy: -368.741367 where: bonds (distance) C4'-P energy: -83.824 bonds (distance) P-C4' energy: -92.952 flat angles C4'-P-C4' energy: -79.794 flat angles P-C4'-P energy: -44.026 tors. eta vs tors. theta energy: -68.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -899.678935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.678935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.678935 (E_RNA) where: Base-Base interactions energy: -564.558 where: short stacking energy: -270.967 Base-Backbone interact. energy: -0.447 local terms energy: -334.674292 where: bonds (distance) C4'-P energy: -76.890 bonds (distance) P-C4' energy: -84.263 flat angles C4'-P-C4' energy: -74.381 flat angles P-C4'-P energy: -59.003 tors. eta vs tors. theta energy: -40.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -798.426377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.426377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.426377 (E_RNA) where: Base-Base interactions energy: -501.005 where: short stacking energy: -229.614 Base-Backbone interact. energy: 0.198 local terms energy: -297.619091 where: bonds (distance) C4'-P energy: -77.549 bonds (distance) P-C4' energy: -61.912 flat angles C4'-P-C4' energy: -83.114 flat angles P-C4'-P energy: -39.555 tors. eta vs tors. theta energy: -35.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -561.195604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.195604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.195604 (E_RNA) where: Base-Base interactions energy: -271.628 where: short stacking energy: -156.661 Base-Backbone interact. energy: 3.496 local terms energy: -293.063506 where: bonds (distance) C4'-P energy: -77.639 bonds (distance) P-C4' energy: -90.895 flat angles C4'-P-C4' energy: -70.733 flat angles P-C4'-P energy: -49.732 tors. eta vs tors. theta energy: -4.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1722.060833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.060833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.060833 (E_RNA) where: Base-Base interactions energy: -1195.441 where: short stacking energy: -511.522 Base-Backbone interact. energy: 0.291 local terms energy: -526.910959 where: bonds (distance) C4'-P energy: -85.541 bonds (distance) P-C4' energy: -104.926 flat angles C4'-P-C4' energy: -108.934 flat angles P-C4'-P energy: -72.335 tors. eta vs tors. theta energy: -155.174 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: 6 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1693.964054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.964054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.964054 (E_RNA) where: Base-Base interactions energy: -1159.405 where: short stacking energy: -541.546 Base-Backbone interact. energy: -1.569 local terms energy: -532.990381 where: bonds (distance) C4'-P energy: -99.410 bonds (distance) P-C4' energy: -86.842 flat angles C4'-P-C4' energy: -116.986 flat angles P-C4'-P energy: -72.252 tors. eta vs tors. theta energy: -157.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1625.185716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.185716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.185716 (E_RNA) where: Base-Base interactions energy: -1128.489 where: short stacking energy: -465.921 Base-Backbone interact. energy: -0.299 local terms energy: -496.397882 where: bonds (distance) C4'-P energy: -87.281 bonds (distance) P-C4' energy: -85.893 flat angles C4'-P-C4' energy: -108.891 flat angles P-C4'-P energy: -72.690 tors. eta vs tors. theta energy: -141.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -1541.241602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.241602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.241602 (E_RNA) where: Base-Base interactions energy: -1080.132 where: short stacking energy: -452.035 Base-Backbone interact. energy: -2.497 local terms energy: -458.613258 where: bonds (distance) C4'-P energy: -81.836 bonds (distance) P-C4' energy: -87.755 flat angles C4'-P-C4' energy: -107.807 flat angles P-C4'-P energy: -55.439 tors. eta vs tors. theta energy: -125.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -1487.339652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.339652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.339652 (E_RNA) where: Base-Base interactions energy: -1048.722 where: short stacking energy: -411.878 Base-Backbone interact. energy: 0.770 local terms energy: -439.388097 where: bonds (distance) C4'-P energy: -78.904 bonds (distance) P-C4' energy: -84.076 flat angles C4'-P-C4' energy: -98.799 flat angles P-C4'-P energy: -59.738 tors. eta vs tors. theta energy: -117.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -1398.913545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.913545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.913545 (E_RNA) where: Base-Base interactions energy: -960.738 where: short stacking energy: -379.930 Base-Backbone interact. energy: -0.917 local terms energy: -437.258744 where: bonds (distance) C4'-P energy: -98.249 bonds (distance) P-C4' energy: -78.938 flat angles C4'-P-C4' energy: -100.380 flat angles P-C4'-P energy: -48.498 tors. eta vs tors. theta energy: -111.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1063.372825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.372825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.372825 (E_RNA) where: Base-Base interactions energy: -681.011 where: short stacking energy: -292.104 Base-Backbone interact. energy: 1.253 local terms energy: -383.615036 where: bonds (distance) C4'-P energy: -78.475 bonds (distance) P-C4' energy: -80.783 flat angles C4'-P-C4' energy: -86.553 flat angles P-C4'-P energy: -56.583 tors. eta vs tors. theta energy: -81.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -939.414411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.414411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.414411 (E_RNA) where: Base-Base interactions energy: -585.032 where: short stacking energy: -261.659 Base-Backbone interact. energy: -2.978 local terms energy: -351.404807 where: bonds (distance) C4'-P energy: -74.203 bonds (distance) P-C4' energy: -78.837 flat angles C4'-P-C4' energy: -94.902 flat angles P-C4'-P energy: -54.165 tors. eta vs tors. theta energy: -49.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -849.561861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.561861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.561861 (E_RNA) where: Base-Base interactions energy: -526.639 where: short stacking energy: -231.682 Base-Backbone interact. energy: -1.283 local terms energy: -321.640563 where: bonds (distance) C4'-P energy: -73.468 bonds (distance) P-C4' energy: -81.221 flat angles C4'-P-C4' energy: -77.298 flat angles P-C4'-P energy: -53.885 tors. eta vs tors. theta energy: -35.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -549.529831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.529831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.529831 (E_RNA) where: Base-Base interactions energy: -254.190 where: short stacking energy: -146.078 Base-Backbone interact. energy: -0.128 local terms energy: -295.211478 where: bonds (distance) C4'-P energy: -80.971 bonds (distance) P-C4' energy: -83.122 flat angles C4'-P-C4' energy: -71.689 flat angles P-C4'-P energy: -56.525 tors. eta vs tors. theta energy: -2.905 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: 6 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1717.460055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.460055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.460055 (E_RNA) where: Base-Base interactions energy: -1172.050 where: short stacking energy: -524.651 Base-Backbone interact. energy: -0.628 local terms energy: -544.782453 where: bonds (distance) C4'-P energy: -103.330 bonds (distance) P-C4' energy: -98.738 flat angles C4'-P-C4' energy: -104.627 flat angles P-C4'-P energy: -79.195 tors. eta vs tors. theta energy: -158.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1707.503505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.503505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.503505 (E_RNA) where: Base-Base interactions energy: -1191.789 where: short stacking energy: -513.879 Base-Backbone interact. energy: -2.032 local terms energy: -513.682486 where: bonds (distance) C4'-P energy: -82.398 bonds (distance) P-C4' energy: -89.704 flat angles C4'-P-C4' energy: -105.619 flat angles P-C4'-P energy: -74.946 tors. eta vs tors. theta energy: -161.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1643.660418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.660418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.660418 (E_RNA) where: Base-Base interactions energy: -1139.955 where: short stacking energy: -504.533 Base-Backbone interact. energy: -1.858 local terms energy: -501.847978 where: bonds (distance) C4'-P energy: -85.935 bonds (distance) P-C4' energy: -90.012 flat angles C4'-P-C4' energy: -109.268 flat angles P-C4'-P energy: -67.206 tors. eta vs tors. theta energy: -149.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1534.102382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.102382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.102382 (E_RNA) where: Base-Base interactions energy: -1069.960 where: short stacking energy: -461.130 Base-Backbone interact. energy: 2.652 local terms energy: -466.794437 where: bonds (distance) C4'-P energy: -105.909 bonds (distance) P-C4' energy: -64.709 flat angles C4'-P-C4' energy: -97.121 flat angles P-C4'-P energy: -68.972 tors. eta vs tors. theta energy: -130.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1502.927711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.927711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.927711 (E_RNA) where: Base-Base interactions energy: -1032.182 where: short stacking energy: -437.488 Base-Backbone interact. energy: -1.279 local terms energy: -469.466307 where: bonds (distance) C4'-P energy: -82.353 bonds (distance) P-C4' energy: -94.099 flat angles C4'-P-C4' energy: -109.703 flat angles P-C4'-P energy: -56.219 tors. eta vs tors. theta energy: -127.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -1409.148114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.148114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.148114 (E_RNA) where: Base-Base interactions energy: -984.219 where: short stacking energy: -397.040 Base-Backbone interact. energy: -0.800 local terms energy: -424.129228 where: bonds (distance) C4'-P energy: -71.245 bonds (distance) P-C4' energy: -89.926 flat angles C4'-P-C4' energy: -94.363 flat angles P-C4'-P energy: -59.859 tors. eta vs tors. theta energy: -108.736 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: 5 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1062.619444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.619444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.619444 (E_RNA) where: Base-Base interactions energy: -688.242 where: short stacking energy: -317.218 Base-Backbone interact. energy: 3.452 local terms energy: -377.830222 where: bonds (distance) C4'-P energy: -70.365 bonds (distance) P-C4' energy: -76.254 flat angles C4'-P-C4' energy: -90.172 flat angles P-C4'-P energy: -65.040 tors. eta vs tors. theta energy: -75.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -988.036681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.036681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.036681 (E_RNA) where: Base-Base interactions energy: -640.468 where: short stacking energy: -287.293 Base-Backbone interact. energy: 1.850 local terms energy: -349.418186 where: bonds (distance) C4'-P energy: -67.321 bonds (distance) P-C4' energy: -87.077 flat angles C4'-P-C4' energy: -78.090 flat angles P-C4'-P energy: -57.075 tors. eta vs tors. theta energy: -59.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -596.855966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.855966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.855966 (E_RNA) where: Base-Base interactions energy: -300.471 where: short stacking energy: -177.535 Base-Backbone interact. energy: -0.000 local terms energy: -296.385246 where: bonds (distance) C4'-P energy: -71.388 bonds (distance) P-C4' energy: -98.921 flat angles C4'-P-C4' energy: -70.485 flat angles P-C4'-P energy: -43.084 tors. eta vs tors. theta energy: -12.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -741.389060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.389060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.389060 (E_RNA) where: Base-Base interactions energy: -468.001 where: short stacking energy: -205.777 Base-Backbone interact. energy: 2.258 local terms energy: -275.645836 where: bonds (distance) C4'-P energy: -76.514 bonds (distance) P-C4' energy: -79.356 flat angles C4'-P-C4' energy: -53.968 flat angles P-C4'-P energy: -43.610 tors. eta vs tors. theta energy: -22.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1697.773411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.773411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.773411 (E_RNA) where: Base-Base interactions energy: -1156.188 where: short stacking energy: -524.077 Base-Backbone interact. energy: -1.690 local terms energy: -539.895405 where: bonds (distance) C4'-P energy: -97.481 bonds (distance) P-C4' energy: -94.529 flat angles C4'-P-C4' energy: -101.301 flat angles P-C4'-P energy: -83.422 tors. eta vs tors. theta energy: -163.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1705.426751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.426751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.426751 (E_RNA) where: Base-Base interactions energy: -1180.677 where: short stacking energy: -489.166 Base-Backbone interact. energy: -3.478 local terms energy: -521.271249 where: bonds (distance) C4'-P energy: -87.519 bonds (distance) P-C4' energy: -93.747 flat angles C4'-P-C4' energy: -111.017 flat angles P-C4'-P energy: -77.743 tors. eta vs tors. theta energy: -151.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1647.990378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.990378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.990378 (E_RNA) where: Base-Base interactions energy: -1149.602 where: short stacking energy: -484.841 Base-Backbone interact. energy: 2.658 local terms energy: -501.046486 where: bonds (distance) C4'-P energy: -100.104 bonds (distance) P-C4' energy: -86.046 flat angles C4'-P-C4' energy: -109.817 flat angles P-C4'-P energy: -65.591 tors. eta vs tors. theta energy: -139.488 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: 8 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -1537.835134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.835134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.835134 (E_RNA) where: Base-Base interactions energy: -1067.854 where: short stacking energy: -469.674 Base-Backbone interact. energy: 3.267 local terms energy: -473.247852 where: bonds (distance) C4'-P energy: -86.061 bonds (distance) P-C4' energy: -98.278 flat angles C4'-P-C4' energy: -111.791 flat angles P-C4'-P energy: -48.862 tors. eta vs tors. theta energy: -128.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1493.019030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.019030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.019030 (E_RNA) where: Base-Base interactions energy: -1020.435 where: short stacking energy: -436.101 Base-Backbone interact. energy: -1.894 local terms energy: -470.689689 where: bonds (distance) C4'-P energy: -85.438 bonds (distance) P-C4' energy: -90.073 flat angles C4'-P-C4' energy: -106.543 flat angles P-C4'-P energy: -73.559 tors. eta vs tors. theta energy: -115.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1365.230934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.230934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.230934 (E_RNA) where: Base-Base interactions energy: -939.584 where: short stacking energy: -383.674 Base-Backbone interact. energy: -1.197 local terms energy: -424.450538 where: bonds (distance) C4'-P energy: -75.172 bonds (distance) P-C4' energy: -87.743 flat angles C4'-P-C4' energy: -109.974 flat angles P-C4'-P energy: -52.860 tors. eta vs tors. theta energy: -98.701 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: 7, replica: 5 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1102.557481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.557481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.557481 (E_RNA) where: Base-Base interactions energy: -714.213 where: short stacking energy: -345.269 Base-Backbone interact. energy: -0.963 local terms energy: -387.381982 where: bonds (distance) C4'-P energy: -83.487 bonds (distance) P-C4' energy: -94.613 flat angles C4'-P-C4' energy: -83.949 flat angles P-C4'-P energy: -46.589 tors. eta vs tors. theta energy: -78.743 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: 1 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -986.740550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.740550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.740550 (E_RNA) where: Base-Base interactions energy: -638.262 where: short stacking energy: -302.212 Base-Backbone interact. energy: -0.847 local terms energy: -347.631124 where: bonds (distance) C4'-P energy: -67.723 bonds (distance) P-C4' energy: -72.286 flat angles C4'-P-C4' energy: -86.172 flat angles P-C4'-P energy: -57.154 tors. eta vs tors. theta energy: -64.296 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: 3 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -581.023852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.023852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.023852 (E_RNA) where: Base-Base interactions energy: -315.332 where: short stacking energy: -185.016 Base-Backbone interact. energy: -0.833 local terms energy: -264.858939 where: bonds (distance) C4'-P energy: -71.085 bonds (distance) P-C4' energy: -79.035 flat angles C4'-P-C4' energy: -72.041 flat angles P-C4'-P energy: -34.424 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: 10, replica: 9 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -616.705445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.705445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.705445 (E_RNA) where: Base-Base interactions energy: -328.857 where: short stacking energy: -180.605 Base-Backbone interact. energy: 3.336 local terms energy: -291.184801 where: bonds (distance) C4'-P energy: -80.358 bonds (distance) P-C4' energy: -83.111 flat angles C4'-P-C4' energy: -71.909 flat angles P-C4'-P energy: -41.637 tors. eta vs tors. theta energy: -14.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1731.881863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.881863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.881863 (E_RNA) where: Base-Base interactions energy: -1180.010 where: short stacking energy: -518.598 Base-Backbone interact. energy: -2.060 local terms energy: -549.811457 where: bonds (distance) C4'-P energy: -104.648 bonds (distance) P-C4' energy: -95.685 flat angles C4'-P-C4' energy: -115.730 flat angles P-C4'-P energy: -81.826 tors. eta vs tors. theta energy: -151.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1673.157268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.157268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.157268 (E_RNA) where: Base-Base interactions energy: -1124.717 where: short stacking energy: -485.473 Base-Backbone interact. energy: -0.724 local terms energy: -547.716639 where: bonds (distance) C4'-P energy: -95.958 bonds (distance) P-C4' energy: -111.104 flat angles C4'-P-C4' energy: -108.088 flat angles P-C4'-P energy: -76.110 tors. eta vs tors. theta energy: -156.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1638.817089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.817089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.817089 (E_RNA) where: Base-Base interactions energy: -1139.343 where: short stacking energy: -482.068 Base-Backbone interact. energy: 1.292 local terms energy: -500.766402 where: bonds (distance) C4'-P energy: -93.454 bonds (distance) P-C4' energy: -97.021 flat angles C4'-P-C4' energy: -111.505 flat angles P-C4'-P energy: -68.314 tors. eta vs tors. theta energy: -130.474 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: 8 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -1563.645696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.645696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.645696 (E_RNA) where: Base-Base interactions energy: -1088.876 where: short stacking energy: -481.290 Base-Backbone interact. energy: -2.673 local terms energy: -472.096542 where: bonds (distance) C4'-P energy: -88.436 bonds (distance) P-C4' energy: -89.824 flat angles C4'-P-C4' energy: -100.162 flat angles P-C4'-P energy: -66.199 tors. eta vs tors. theta energy: -127.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -1425.045972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.045972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.045972 (E_RNA) where: Base-Base interactions energy: -995.149 where: short stacking energy: -410.800 Base-Backbone interact. energy: 0.191 local terms energy: -430.087920 where: bonds (distance) C4'-P energy: -84.692 bonds (distance) P-C4' energy: -74.433 flat angles C4'-P-C4' energy: -94.083 flat angles P-C4'-P energy: -65.003 tors. eta vs tors. theta energy: -111.876 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: 4 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -1434.135916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.135916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.135916 (E_RNA) where: Base-Base interactions energy: -985.959 where: short stacking energy: -404.120 Base-Backbone interact. energy: -0.721 local terms energy: -447.455470 where: bonds (distance) C4'-P energy: -81.865 bonds (distance) P-C4' energy: -93.604 flat angles C4'-P-C4' energy: -89.631 flat angles P-C4'-P energy: -65.243 tors. eta vs tors. theta energy: -117.113 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: 5 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1089.730428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.730428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.730428 (E_RNA) where: Base-Base interactions energy: -699.030 where: short stacking energy: -328.978 Base-Backbone interact. energy: -1.884 local terms energy: -388.815870 where: bonds (distance) C4'-P energy: -90.775 bonds (distance) P-C4' energy: -81.952 flat angles C4'-P-C4' energy: -78.051 flat angles P-C4'-P energy: -59.701 tors. eta vs tors. theta energy: -78.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -959.571812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.571812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.571812 (E_RNA) where: Base-Base interactions energy: -604.041 where: short stacking energy: -274.231 Base-Backbone interact. energy: 0.899 local terms energy: -356.429035 where: bonds (distance) C4'-P energy: -81.580 bonds (distance) P-C4' energy: -86.446 flat angles C4'-P-C4' energy: -82.871 flat angles P-C4'-P energy: -46.795 tors. eta vs tors. theta energy: -58.736 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: 9, replica: 9 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -633.541083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.541083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.541083 (E_RNA) where: Base-Base interactions energy: -339.877 where: short stacking energy: -177.087 Base-Backbone interact. energy: -2.427 local terms energy: -291.237517 where: bonds (distance) C4'-P energy: -78.928 bonds (distance) P-C4' energy: -84.942 flat angles C4'-P-C4' energy: -75.323 flat angles P-C4'-P energy: -44.279 tors. eta vs tors. theta energy: -7.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -611.018091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.018091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.018091 (E_RNA) where: Base-Base interactions energy: -357.386 where: short stacking energy: -187.323 Base-Backbone interact. energy: -0.611 local terms energy: -253.020612 where: bonds (distance) C4'-P energy: -69.112 bonds (distance) P-C4' energy: -70.856 flat angles C4'-P-C4' energy: -57.706 flat angles P-C4'-P energy: -53.544 tors. eta vs tors. theta energy: -1.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1739.660104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.660104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.660104 (E_RNA) where: Base-Base interactions energy: -1187.389 where: short stacking energy: -516.063 Base-Backbone interact. energy: -4.246 local terms energy: -548.025073 where: bonds (distance) C4'-P energy: -83.849 bonds (distance) P-C4' energy: -106.659 flat angles C4'-P-C4' energy: -111.672 flat angles P-C4'-P energy: -85.168 tors. eta vs tors. theta energy: -160.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1658.920965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.920965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.920965 (E_RNA) where: Base-Base interactions energy: -1146.531 where: short stacking energy: -514.142 Base-Backbone interact. energy: 0.323 local terms energy: -512.712030 where: bonds (distance) C4'-P energy: -82.932 bonds (distance) P-C4' energy: -91.383 flat angles C4'-P-C4' energy: -111.662 flat angles P-C4'-P energy: -68.177 tors. eta vs tors. theta energy: -158.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1635.643365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.643365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.643365 (E_RNA) where: Base-Base interactions energy: -1131.902 where: short stacking energy: -475.537 Base-Backbone interact. energy: -2.054 local terms energy: -501.686903 where: bonds (distance) C4'-P energy: -95.502 bonds (distance) P-C4' energy: -87.070 flat angles C4'-P-C4' energy: -106.680 flat angles P-C4'-P energy: -79.293 tors. eta vs tors. theta energy: -133.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -1582.823469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.823469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.823469 (E_RNA) where: Base-Base interactions energy: -1086.221 where: short stacking energy: -470.433 Base-Backbone interact. energy: -1.046 local terms energy: -495.556294 where: bonds (distance) C4'-P energy: -91.112 bonds (distance) P-C4' energy: -86.319 flat angles C4'-P-C4' energy: -105.736 flat angles P-C4'-P energy: -83.761 tors. eta vs tors. theta energy: -128.630 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: 10 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -1427.475365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.475365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.475365 (E_RNA) where: Base-Base interactions energy: -977.281 where: short stacking energy: -421.824 Base-Backbone interact. energy: -0.897 local terms energy: -449.297986 where: bonds (distance) C4'-P energy: -82.211 bonds (distance) P-C4' energy: -98.329 flat angles C4'-P-C4' energy: -88.641 flat angles P-C4'-P energy: -58.179 tors. eta vs tors. theta energy: -121.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -1381.930818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.930818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.930818 (E_RNA) where: Base-Base interactions energy: -946.006 where: short stacking energy: -387.680 Base-Backbone interact. energy: -0.750 local terms energy: -435.174684 where: bonds (distance) C4'-P energy: -84.532 bonds (distance) P-C4' energy: -87.838 flat angles C4'-P-C4' energy: -98.770 flat angles P-C4'-P energy: -64.585 tors. eta vs tors. theta energy: -99.448 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: 5 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1045.150188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.150188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.150188 (E_RNA) where: Base-Base interactions energy: -689.665 where: short stacking energy: -305.237 Base-Backbone interact. energy: 4.790 local terms energy: -360.274930 where: bonds (distance) C4'-P energy: -80.047 bonds (distance) P-C4' energy: -77.903 flat angles C4'-P-C4' energy: -82.679 flat angles P-C4'-P energy: -55.843 tors. eta vs tors. theta energy: -63.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -964.423389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.423389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.423389 (E_RNA) where: Base-Base interactions energy: -616.187 where: short stacking energy: -269.092 Base-Backbone interact. energy: 1.571 local terms energy: -349.807689 where: bonds (distance) C4'-P energy: -88.821 bonds (distance) P-C4' energy: -69.805 flat angles C4'-P-C4' energy: -77.011 flat angles P-C4'-P energy: -59.645 tors. eta vs tors. theta energy: -54.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -669.468122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.468122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.468122 (E_RNA) where: Base-Base interactions energy: -368.861 where: short stacking energy: -209.065 Base-Backbone interact. energy: -1.367 local terms energy: -299.239610 where: bonds (distance) C4'-P energy: -80.105 bonds (distance) P-C4' energy: -72.050 flat angles C4'-P-C4' energy: -74.158 flat angles P-C4'-P energy: -46.013 tors. eta vs tors. theta energy: -26.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -595.181813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.181813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.181813 (E_RNA) where: Base-Base interactions energy: -323.838 where: short stacking energy: -171.976 Base-Backbone interact. energy: 0.513 local terms energy: -271.856634 where: bonds (distance) C4'-P energy: -66.803 bonds (distance) P-C4' energy: -74.655 flat angles C4'-P-C4' energy: -82.266 flat angles P-C4'-P energy: -48.113 tors. eta vs tors. theta energy: -0.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1741.286073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.286073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.286073 (E_RNA) where: Base-Base interactions energy: -1206.391 where: short stacking energy: -503.018 Base-Backbone interact. energy: -2.704 local terms energy: -532.190948 where: bonds (distance) C4'-P energy: -93.982 bonds (distance) P-C4' energy: -91.004 flat angles C4'-P-C4' energy: -111.193 flat angles P-C4'-P energy: -86.235 tors. eta vs tors. theta energy: -149.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1658.167537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.167537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.167537 (E_RNA) where: Base-Base interactions energy: -1136.153 where: short stacking energy: -514.377 Base-Backbone interact. energy: -1.809 local terms energy: -520.205201 where: bonds (distance) C4'-P energy: -77.005 bonds (distance) P-C4' energy: -98.491 flat angles C4'-P-C4' energy: -112.188 flat angles P-C4'-P energy: -76.974 tors. eta vs tors. theta energy: -155.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1636.585455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.585455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.585455 (E_RNA) where: Base-Base interactions energy: -1151.858 where: short stacking energy: -489.091 Base-Backbone interact. energy: -2.101 local terms energy: -482.626032 where: bonds (distance) C4'-P energy: -83.751 bonds (distance) P-C4' energy: -83.041 flat angles C4'-P-C4' energy: -104.847 flat angles P-C4'-P energy: -78.767 tors. eta vs tors. theta energy: -132.220 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: 8 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1572.987914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.987914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.987914 (E_RNA) where: Base-Base interactions energy: -1079.114 where: short stacking energy: -481.302 Base-Backbone interact. energy: -0.961 local terms energy: -492.912486 where: bonds (distance) C4'-P energy: -90.511 bonds (distance) P-C4' energy: -84.540 flat angles C4'-P-C4' energy: -109.401 flat angles P-C4'-P energy: -75.563 tors. eta vs tors. theta energy: -132.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -1365.642579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.642579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.642579 (E_RNA) where: Base-Base interactions energy: -936.680 where: short stacking energy: -400.132 Base-Backbone interact. energy: -2.995 local terms energy: -425.967891 where: bonds (distance) C4'-P energy: -82.445 bonds (distance) P-C4' energy: -83.482 flat angles C4'-P-C4' energy: -83.286 flat angles P-C4'-P energy: -62.276 tors. eta vs tors. theta energy: -114.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1351.907632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.907632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.907632 (E_RNA) where: Base-Base interactions energy: -923.421 where: short stacking energy: -392.625 Base-Backbone interact. energy: -0.841 local terms energy: -427.646243 where: bonds (distance) C4'-P energy: -85.350 bonds (distance) P-C4' energy: -95.475 flat angles C4'-P-C4' energy: -84.762 flat angles P-C4'-P energy: -59.230 tors. eta vs tors. theta energy: -102.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1093.146414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.146414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.146414 (E_RNA) where: Base-Base interactions energy: -720.182 where: short stacking energy: -293.443 Base-Backbone interact. energy: -2.152 local terms energy: -370.813020 where: bonds (distance) C4'-P energy: -81.693 bonds (distance) P-C4' energy: -73.292 flat angles C4'-P-C4' energy: -92.376 flat angles P-C4'-P energy: -53.964 tors. eta vs tors. theta energy: -69.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -971.223489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.223489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.223489 (E_RNA) where: Base-Base interactions energy: -626.555 where: short stacking energy: -312.644 Base-Backbone interact. energy: -1.827 local terms energy: -342.840974 where: bonds (distance) C4'-P energy: -79.953 bonds (distance) P-C4' energy: -74.921 flat angles C4'-P-C4' energy: -82.498 flat angles P-C4'-P energy: -36.361 tors. eta vs tors. theta energy: -69.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -786.259717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.259717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.259717 (E_RNA) where: Base-Base interactions energy: -473.713 where: short stacking energy: -232.737 Base-Backbone interact. energy: 9.738 local terms energy: -322.285397 where: bonds (distance) C4'-P energy: -76.712 bonds (distance) P-C4' energy: -92.212 flat angles C4'-P-C4' energy: -62.773 flat angles P-C4'-P energy: -56.540 tors. eta vs tors. theta energy: -34.048 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: 10, replica: 3 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -558.232793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.232793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.232793 (E_RNA) where: Base-Base interactions energy: -294.495 where: short stacking energy: -171.365 Base-Backbone interact. energy: 3.044 local terms energy: -266.782744 where: bonds (distance) C4'-P energy: -68.681 bonds (distance) P-C4' energy: -87.187 flat angles C4'-P-C4' energy: -62.793 flat angles P-C4'-P energy: -37.963 tors. eta vs tors. theta energy: -10.159 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: 7 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1755.357958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.357958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.357958 (E_RNA) where: Base-Base interactions energy: -1234.385 where: short stacking energy: -521.142 Base-Backbone interact. energy: -3.120 local terms energy: -517.853103 where: bonds (distance) C4'-P energy: -92.498 bonds (distance) P-C4' energy: -98.945 flat angles C4'-P-C4' energy: -105.608 flat angles P-C4'-P energy: -61.869 tors. eta vs tors. theta energy: -158.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1685.324432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.324432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.324432 (E_RNA) where: Base-Base interactions energy: -1170.373 where: short stacking energy: -491.045 Base-Backbone interact. energy: -1.882 local terms energy: -513.069441 where: bonds (distance) C4'-P energy: -91.252 bonds (distance) P-C4' energy: -97.286 flat angles C4'-P-C4' energy: -110.472 flat angles P-C4'-P energy: -63.473 tors. eta vs tors. theta energy: -150.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1636.081268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.081268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.081268 (E_RNA) where: Base-Base interactions energy: -1129.385 where: short stacking energy: -504.454 Base-Backbone interact. energy: -0.799 local terms energy: -505.897569 where: bonds (distance) C4'-P energy: -95.383 bonds (distance) P-C4' energy: -92.967 flat angles C4'-P-C4' energy: -96.550 flat angles P-C4'-P energy: -68.492 tors. eta vs tors. theta energy: -152.506 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: 8 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -1547.626499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.626499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.626499 (E_RNA) where: Base-Base interactions energy: -1077.708 where: short stacking energy: -477.903 Base-Backbone interact. energy: -0.584 local terms energy: -469.334606 where: bonds (distance) C4'-P energy: -78.140 bonds (distance) P-C4' energy: -89.717 flat angles C4'-P-C4' energy: -107.714 flat angles P-C4'-P energy: -65.182 tors. eta vs tors. theta energy: -128.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1410.364397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.364397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.364397 (E_RNA) where: Base-Base interactions energy: -989.131 where: short stacking energy: -421.093 Base-Backbone interact. energy: -1.257 local terms energy: -419.975703 where: bonds (distance) C4'-P energy: -63.885 bonds (distance) P-C4' energy: -77.016 flat angles C4'-P-C4' energy: -94.752 flat angles P-C4'-P energy: -65.644 tors. eta vs tors. theta energy: -118.679 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: 4 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1349.418074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.418074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.418074 (E_RNA) where: Base-Base interactions energy: -922.458 where: short stacking energy: -377.216 Base-Backbone interact. energy: 2.058 local terms energy: -429.018062 where: bonds (distance) C4'-P energy: -75.843 bonds (distance) P-C4' energy: -84.156 flat angles C4'-P-C4' energy: -103.853 flat angles P-C4'-P energy: -55.941 tors. eta vs tors. theta energy: -109.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1155.194365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.194365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.194365 (E_RNA) where: Base-Base interactions energy: -762.208 where: short stacking energy: -325.981 Base-Backbone interact. energy: -2.139 local terms energy: -390.847147 where: bonds (distance) C4'-P energy: -73.465 bonds (distance) P-C4' energy: -73.029 flat angles C4'-P-C4' energy: -103.286 flat angles P-C4'-P energy: -52.098 tors. eta vs tors. theta energy: -88.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -955.221921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.221921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.221921 (E_RNA) where: Base-Base interactions energy: -619.073 where: short stacking energy: -313.734 Base-Backbone interact. energy: 2.070 local terms energy: -338.218196 where: bonds (distance) C4'-P energy: -67.766 bonds (distance) P-C4' energy: -85.712 flat angles C4'-P-C4' energy: -73.622 flat angles P-C4'-P energy: -51.606 tors. eta vs tors. theta energy: -59.512 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: 9, replica: 9 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -795.166900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.166900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.166900 (E_RNA) where: Base-Base interactions energy: -463.362 where: short stacking energy: -240.010 Base-Backbone interact. energy: 0.390 local terms energy: -332.195384 where: bonds (distance) C4'-P energy: -75.187 bonds (distance) P-C4' energy: -83.119 flat angles C4'-P-C4' energy: -89.605 flat angles P-C4'-P energy: -41.250 tors. eta vs tors. theta energy: -43.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -612.949554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.949554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.949554 (E_RNA) where: Base-Base interactions energy: -340.242 where: short stacking energy: -181.440 Base-Backbone interact. energy: -0.187 local terms energy: -272.521182 where: bonds (distance) C4'-P energy: -82.098 bonds (distance) P-C4' energy: -72.332 flat angles C4'-P-C4' energy: -61.925 flat angles P-C4'-P energy: -47.313 tors. eta vs tors. theta energy: -8.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1741.357536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.357536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.357536 (E_RNA) where: Base-Base interactions energy: -1215.224 where: short stacking energy: -523.165 Base-Backbone interact. energy: -3.409 local terms energy: -522.724334 where: bonds (distance) C4'-P energy: -88.194 bonds (distance) P-C4' energy: -98.743 flat angles C4'-P-C4' energy: -122.042 flat angles P-C4'-P energy: -68.848 tors. eta vs tors. theta energy: -144.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1661.828358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.828358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.828358 (E_RNA) where: Base-Base interactions energy: -1174.456 where: short stacking energy: -505.483 Base-Backbone interact. energy: -1.929 local terms energy: -485.443052 where: bonds (distance) C4'-P energy: -84.597 bonds (distance) P-C4' energy: -95.051 flat angles C4'-P-C4' energy: -102.497 flat angles P-C4'-P energy: -68.119 tors. eta vs tors. theta energy: -135.178 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: 8 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1595.975318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.975318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.975318 (E_RNA) where: Base-Base interactions energy: -1099.003 where: short stacking energy: -482.932 Base-Backbone interact. energy: -3.695 local terms energy: -493.277386 where: bonds (distance) C4'-P energy: -93.220 bonds (distance) P-C4' energy: -91.730 flat angles C4'-P-C4' energy: -108.216 flat angles P-C4'-P energy: -69.710 tors. eta vs tors. theta energy: -130.401 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: 6 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -1599.922085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.922085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.922085 (E_RNA) where: Base-Base interactions energy: -1087.258 where: short stacking energy: -481.327 Base-Backbone interact. energy: -2.340 local terms energy: -510.323779 where: bonds (distance) C4'-P energy: -94.781 bonds (distance) P-C4' energy: -99.533 flat angles C4'-P-C4' energy: -97.032 flat angles P-C4'-P energy: -61.573 tors. eta vs tors. theta energy: -157.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1429.502211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.502211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.502211 (E_RNA) where: Base-Base interactions energy: -971.390 where: short stacking energy: -420.904 Base-Backbone interact. energy: 0.263 local terms energy: -458.375560 where: bonds (distance) C4'-P energy: -85.328 bonds (distance) P-C4' energy: -84.835 flat angles C4'-P-C4' energy: -104.938 flat angles P-C4'-P energy: -63.831 tors. eta vs tors. theta energy: -119.444 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: 10 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1424.406317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.406317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.406317 (E_RNA) where: Base-Base interactions energy: -968.235 where: short stacking energy: -425.353 Base-Backbone interact. energy: -1.362 local terms energy: -454.809239 where: bonds (distance) C4'-P energy: -81.849 bonds (distance) P-C4' energy: -83.777 flat angles C4'-P-C4' energy: -94.418 flat angles P-C4'-P energy: -68.365 tors. eta vs tors. theta energy: -126.400 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: 5 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1216.009542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.009542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.009542 (E_RNA) where: Base-Base interactions energy: -804.293 where: short stacking energy: -340.443 Base-Backbone interact. energy: 2.002 local terms energy: -413.718237 where: bonds (distance) C4'-P energy: -86.230 bonds (distance) P-C4' energy: -96.704 flat angles C4'-P-C4' energy: -88.829 flat angles P-C4'-P energy: -54.857 tors. eta vs tors. theta energy: -87.097 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: 1 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -906.415604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.415604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.415604 (E_RNA) where: Base-Base interactions energy: -575.204 where: short stacking energy: -283.352 Base-Backbone interact. energy: 1.808 local terms energy: -333.019724 where: bonds (distance) C4'-P energy: -69.157 bonds (distance) P-C4' energy: -75.634 flat angles C4'-P-C4' energy: -82.755 flat angles P-C4'-P energy: -58.001 tors. eta vs tors. theta energy: -47.473 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: 3 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -664.185243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.185243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.185243 (E_RNA) where: Base-Base interactions energy: -367.850 where: short stacking energy: -172.334 Base-Backbone interact. energy: -2.737 local terms energy: -293.598145 where: bonds (distance) C4'-P energy: -86.111 bonds (distance) P-C4' energy: -81.074 flat angles C4'-P-C4' energy: -56.056 flat angles P-C4'-P energy: -43.395 tors. eta vs tors. theta energy: -26.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -708.788396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.788396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.788396 (E_RNA) where: Base-Base interactions energy: -414.716 where: short stacking energy: -193.604 Base-Backbone interact. energy: -0.434 local terms energy: -293.638255 where: bonds (distance) C4'-P energy: -77.202 bonds (distance) P-C4' energy: -69.271 flat angles C4'-P-C4' energy: -78.932 flat angles P-C4'-P energy: -49.988 tors. eta vs tors. theta energy: -18.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1729.723099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.723099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.723099 (E_RNA) where: Base-Base interactions energy: -1212.975 where: short stacking energy: -517.523 Base-Backbone interact. energy: -1.683 local terms energy: -515.065686 where: bonds (distance) C4'-P energy: -85.782 bonds (distance) P-C4' energy: -112.020 flat angles C4'-P-C4' energy: -104.706 flat angles P-C4'-P energy: -67.293 tors. eta vs tors. theta energy: -145.265 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: 2 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1681.499121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.499121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.499121 (E_RNA) where: Base-Base interactions energy: -1157.545 where: short stacking energy: -487.795 Base-Backbone interact. energy: 1.024 local terms energy: -524.978290 where: bonds (distance) C4'-P energy: -97.945 bonds (distance) P-C4' energy: -97.087 flat angles C4'-P-C4' energy: -109.355 flat angles P-C4'-P energy: -79.838 tors. eta vs tors. theta energy: -140.754 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: 8 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1614.385440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.385440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.385440 (E_RNA) where: Base-Base interactions energy: -1090.321 where: short stacking energy: -451.714 Base-Backbone interact. energy: -3.287 local terms energy: -520.777291 where: bonds (distance) C4'-P energy: -90.293 bonds (distance) P-C4' energy: -96.753 flat angles C4'-P-C4' energy: -111.178 flat angles P-C4'-P energy: -83.671 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: 4, replica: 6 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1588.036254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.036254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.036254 (E_RNA) where: Base-Base interactions energy: -1092.205 where: short stacking energy: -489.420 Base-Backbone interact. energy: 2.097 local terms energy: -497.928520 where: bonds (distance) C4'-P energy: -82.200 bonds (distance) P-C4' energy: -80.376 flat angles C4'-P-C4' energy: -107.226 flat angles P-C4'-P energy: -78.237 tors. eta vs tors. theta energy: -149.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1402.923608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.923608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.923608 (E_RNA) where: Base-Base interactions energy: -954.957 where: short stacking energy: -389.273 Base-Backbone interact. energy: -2.538 local terms energy: -445.428159 where: bonds (distance) C4'-P energy: -83.774 bonds (distance) P-C4' energy: -94.384 flat angles C4'-P-C4' energy: -91.395 flat angles P-C4'-P energy: -65.424 tors. eta vs tors. theta energy: -110.451 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: 10 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -1442.637867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.637867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.637867 (E_RNA) where: Base-Base interactions energy: -974.128 where: short stacking energy: -422.558 Base-Backbone interact. energy: -0.568 local terms energy: -467.941433 where: bonds (distance) C4'-P energy: -85.650 bonds (distance) P-C4' energy: -78.992 flat angles C4'-P-C4' energy: -97.196 flat angles P-C4'-P energy: -77.900 tors. eta vs tors. theta energy: -128.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1139.833015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.833015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.833015 (E_RNA) where: Base-Base interactions energy: -759.371 where: short stacking energy: -312.285 Base-Backbone interact. energy: 1.953 local terms energy: -382.415218 where: bonds (distance) C4'-P energy: -69.513 bonds (distance) P-C4' energy: -83.223 flat angles C4'-P-C4' energy: -91.612 flat angles P-C4'-P energy: -67.426 tors. eta vs tors. theta energy: -70.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -921.030314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.030314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.030314 (E_RNA) where: Base-Base interactions energy: -552.870 where: short stacking energy: -265.667 Base-Backbone interact. energy: 0.335 local terms energy: -368.495209 where: bonds (distance) C4'-P energy: -87.602 bonds (distance) P-C4' energy: -92.745 flat angles C4'-P-C4' energy: -88.428 flat angles P-C4'-P energy: -44.435 tors. eta vs tors. theta energy: -55.285 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: 3 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -660.054829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.054829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.054829 (E_RNA) where: Base-Base interactions energy: -361.866 where: short stacking energy: -185.425 Base-Backbone interact. energy: -1.427 local terms energy: -296.762350 where: bonds (distance) C4'-P energy: -75.316 bonds (distance) P-C4' energy: -77.178 flat angles C4'-P-C4' energy: -73.665 flat angles P-C4'-P energy: -50.749 tors. eta vs tors. theta energy: -19.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -646.219432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.219432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.219432 (E_RNA) where: Base-Base interactions energy: -325.928 where: short stacking energy: -175.988 Base-Backbone interact. energy: -1.106 local terms energy: -319.185367 where: bonds (distance) C4'-P energy: -74.102 bonds (distance) P-C4' energy: -93.742 flat angles C4'-P-C4' energy: -69.029 flat angles P-C4'-P energy: -57.505 tors. eta vs tors. theta energy: -24.808 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: 7 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1731.607559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.607559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.607559 (E_RNA) where: Base-Base interactions energy: -1206.600 where: short stacking energy: -495.934 Base-Backbone interact. energy: 0.937 local terms energy: -525.944893 where: bonds (distance) C4'-P energy: -95.033 bonds (distance) P-C4' energy: -96.149 flat angles C4'-P-C4' energy: -106.902 flat angles P-C4'-P energy: -75.563 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: 2, replica: 2 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1679.877875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.877875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.877875 (E_RNA) where: Base-Base interactions energy: -1167.681 where: short stacking energy: -498.326 Base-Backbone interact. energy: -1.749 local terms energy: -510.448354 where: bonds (distance) C4'-P energy: -87.299 bonds (distance) P-C4' energy: -107.460 flat angles C4'-P-C4' energy: -106.344 flat angles P-C4'-P energy: -65.225 tors. eta vs tors. theta energy: -144.121 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: 6 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1612.087357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.087357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.087357 (E_RNA) where: Base-Base interactions energy: -1113.123 where: short stacking energy: -498.359 Base-Backbone interact. energy: -1.615 local terms energy: -497.349549 where: bonds (distance) C4'-P energy: -90.027 bonds (distance) P-C4' energy: -87.493 flat angles C4'-P-C4' energy: -110.633 flat angles P-C4'-P energy: -59.086 tors. eta vs tors. theta energy: -150.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -1545.285897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.285897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.285897 (E_RNA) where: Base-Base interactions energy: -1043.021 where: short stacking energy: -461.390 Base-Backbone interact. energy: -1.377 local terms energy: -500.887475 where: bonds (distance) C4'-P energy: -91.447 bonds (distance) P-C4' energy: -102.600 flat angles C4'-P-C4' energy: -114.894 flat angles P-C4'-P energy: -61.460 tors. eta vs tors. theta energy: -130.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -1463.939824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.939824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.939824 (E_RNA) where: Base-Base interactions energy: -1007.041 where: short stacking energy: -432.740 Base-Backbone interact. energy: -1.255 local terms energy: -455.644157 where: bonds (distance) C4'-P energy: -94.958 bonds (distance) P-C4' energy: -80.177 flat angles C4'-P-C4' energy: -99.165 flat angles P-C4'-P energy: -56.082 tors. eta vs tors. theta energy: -125.261 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: 6, replica: 4 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1370.785907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.785907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.785907 (E_RNA) where: Base-Base interactions energy: -966.862 where: short stacking energy: -396.845 Base-Backbone interact. energy: -4.413 local terms energy: -399.510839 where: bonds (distance) C4'-P energy: -57.165 bonds (distance) P-C4' energy: -79.414 flat angles C4'-P-C4' energy: -84.759 flat angles P-C4'-P energy: -66.993 tors. eta vs tors. theta energy: -111.181 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: 5 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1132.464269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.464269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.464269 (E_RNA) where: Base-Base interactions energy: -780.257 where: short stacking energy: -324.501 Base-Backbone interact. energy: -4.046 local terms energy: -348.160765 where: bonds (distance) C4'-P energy: -81.172 bonds (distance) P-C4' energy: -76.233 flat angles C4'-P-C4' energy: -67.057 flat angles P-C4'-P energy: -47.347 tors. eta vs tors. theta energy: -76.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -919.617887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.617887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.617887 (E_RNA) where: Base-Base interactions energy: -586.880 where: short stacking energy: -282.269 Base-Backbone interact. energy: 1.638 local terms energy: -334.375326 where: bonds (distance) C4'-P energy: -63.688 bonds (distance) P-C4' energy: -79.126 flat angles C4'-P-C4' energy: -90.470 flat angles P-C4'-P energy: -60.846 tors. eta vs tors. theta energy: -40.246 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: 3 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -653.976451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.976451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.976451 (E_RNA) where: Base-Base interactions energy: -350.771 where: short stacking energy: -182.851 Base-Backbone interact. energy: 0.815 local terms energy: -304.020940 where: bonds (distance) C4'-P energy: -90.832 bonds (distance) P-C4' energy: -87.794 flat angles C4'-P-C4' energy: -69.212 flat angles P-C4'-P energy: -39.140 tors. eta vs tors. theta energy: -17.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -639.939252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.939252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.939252 (E_RNA) where: Base-Base interactions energy: -364.038 where: short stacking energy: -173.445 Base-Backbone interact. energy: -1.142 local terms energy: -274.758958 where: bonds (distance) C4'-P energy: -75.579 bonds (distance) P-C4' energy: -82.727 flat angles C4'-P-C4' energy: -79.643 flat angles P-C4'-P energy: -27.453 tors. eta vs tors. theta energy: -9.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1731.498641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.498641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.498641 (E_RNA) where: Base-Base interactions energy: -1206.481 where: short stacking energy: -514.530 Base-Backbone interact. energy: 0.118 local terms energy: -525.136146 where: bonds (distance) C4'-P energy: -98.066 bonds (distance) P-C4' energy: -96.766 flat angles C4'-P-C4' energy: -108.998 flat angles P-C4'-P energy: -73.633 tors. eta vs tors. theta energy: -147.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1657.035695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.035695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.035695 (E_RNA) where: Base-Base interactions energy: -1145.561 where: short stacking energy: -505.247 Base-Backbone interact. energy: -1.157 local terms energy: -510.317152 where: bonds (distance) C4'-P energy: -93.692 bonds (distance) P-C4' energy: -91.491 flat angles C4'-P-C4' energy: -102.296 flat angles P-C4'-P energy: -73.065 tors. eta vs tors. theta energy: -149.773 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: 6 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1599.170050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.170050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.170050 (E_RNA) where: Base-Base interactions energy: -1090.928 where: short stacking energy: -509.508 Base-Backbone interact. energy: -1.862 local terms energy: -506.380832 where: bonds (distance) C4'-P energy: -89.329 bonds (distance) P-C4' energy: -88.557 flat angles C4'-P-C4' energy: -104.668 flat angles P-C4'-P energy: -75.091 tors. eta vs tors. theta energy: -148.736 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: 4, replica: 8 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -1553.605427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.605427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.605427 (E_RNA) where: Base-Base interactions energy: -1066.223 where: short stacking energy: -475.325 Base-Backbone interact. energy: -1.586 local terms energy: -485.795715 where: bonds (distance) C4'-P energy: -92.481 bonds (distance) P-C4' energy: -82.114 flat angles C4'-P-C4' energy: -107.152 flat angles P-C4'-P energy: -65.629 tors. eta vs tors. theta energy: -138.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -1423.790226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.790226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.790226 (E_RNA) where: Base-Base interactions energy: -971.469 where: short stacking energy: -394.802 Base-Backbone interact. energy: -3.343 local terms energy: -448.977962 where: bonds (distance) C4'-P energy: -77.105 bonds (distance) P-C4' energy: -87.071 flat angles C4'-P-C4' energy: -108.786 flat angles P-C4'-P energy: -66.277 tors. eta vs tors. theta energy: -109.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1338.726839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.726839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.726839 (E_RNA) where: Base-Base interactions energy: -918.899 where: short stacking energy: -380.157 Base-Backbone interact. energy: -0.794 local terms energy: -419.033503 where: bonds (distance) C4'-P energy: -83.282 bonds (distance) P-C4' energy: -94.359 flat angles C4'-P-C4' energy: -89.488 flat angles P-C4'-P energy: -44.962 tors. eta vs tors. theta energy: -106.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1134.368197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.368197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.368197 (E_RNA) where: Base-Base interactions energy: -741.762 where: short stacking energy: -323.415 Base-Backbone interact. energy: -1.095 local terms energy: -391.511349 where: bonds (distance) C4'-P energy: -99.607 bonds (distance) P-C4' energy: -86.668 flat angles C4'-P-C4' energy: -85.610 flat angles P-C4'-P energy: -41.930 tors. eta vs tors. theta energy: -77.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -917.865261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.865261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.865261 (E_RNA) where: Base-Base interactions energy: -575.688 where: short stacking energy: -287.007 Base-Backbone interact. energy: -0.271 local terms energy: -341.906267 where: bonds (distance) C4'-P energy: -82.024 bonds (distance) P-C4' energy: -71.120 flat angles C4'-P-C4' energy: -73.655 flat angles P-C4'-P energy: -57.928 tors. eta vs tors. theta energy: -57.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -623.246971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.246971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.246971 (E_RNA) where: Base-Base interactions energy: -325.702 where: short stacking energy: -200.930 Base-Backbone interact. energy: -1.671 local terms energy: -295.874934 where: bonds (distance) C4'-P energy: -76.009 bonds (distance) P-C4' energy: -73.969 flat angles C4'-P-C4' energy: -75.096 flat angles P-C4'-P energy: -44.326 tors. eta vs tors. theta energy: -26.474 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: 9 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -619.877273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.877273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.877273 (E_RNA) where: Base-Base interactions energy: -343.677 where: short stacking energy: -178.067 Base-Backbone interact. energy: 1.210 local terms energy: -277.410228 where: bonds (distance) C4'-P energy: -71.226 bonds (distance) P-C4' energy: -75.870 flat angles C4'-P-C4' energy: -89.304 flat angles P-C4'-P energy: -33.118 tors. eta vs tors. theta energy: -7.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1749.940700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.940700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.940700 (E_RNA) where: Base-Base interactions energy: -1208.413 where: short stacking energy: -531.158 Base-Backbone interact. energy: -3.836 local terms energy: -537.691711 where: bonds (distance) C4'-P energy: -95.331 bonds (distance) P-C4' energy: -94.072 flat angles C4'-P-C4' energy: -114.732 flat angles P-C4'-P energy: -77.321 tors. eta vs tors. theta energy: -156.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1637.566944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.566944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.566944 (E_RNA) where: Base-Base interactions energy: -1134.412 where: short stacking energy: -482.938 Base-Backbone interact. energy: 0.720 local terms energy: -503.874767 where: bonds (distance) C4'-P energy: -86.320 bonds (distance) P-C4' energy: -97.567 flat angles C4'-P-C4' energy: -106.398 flat angles P-C4'-P energy: -70.336 tors. eta vs tors. theta energy: -143.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1605.637387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.637387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.637387 (E_RNA) where: Base-Base interactions energy: -1095.066 where: short stacking energy: -503.532 Base-Backbone interact. energy: -1.616 local terms energy: -508.955248 where: bonds (distance) C4'-P energy: -95.587 bonds (distance) P-C4' energy: -90.249 flat angles C4'-P-C4' energy: -103.177 flat angles P-C4'-P energy: -69.101 tors. eta vs tors. theta energy: -150.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -1556.961732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.961732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.961732 (E_RNA) where: Base-Base interactions energy: -1057.697 where: short stacking energy: -450.159 Base-Backbone interact. energy: 0.828 local terms energy: -500.093133 where: bonds (distance) C4'-P energy: -97.821 bonds (distance) P-C4' energy: -92.789 flat angles C4'-P-C4' energy: -101.042 flat angles P-C4'-P energy: -77.395 tors. eta vs tors. theta energy: -131.046 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: 10 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -1472.400160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.400160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.400160 (E_RNA) where: Base-Base interactions energy: -1018.021 where: short stacking energy: -408.388 Base-Backbone interact. energy: 0.265 local terms energy: -454.644461 where: bonds (distance) C4'-P energy: -96.715 bonds (distance) P-C4' energy: -71.986 flat angles C4'-P-C4' energy: -104.034 flat angles P-C4'-P energy: -56.400 tors. eta vs tors. theta energy: -125.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1376.561276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.561276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.561276 (E_RNA) where: Base-Base interactions energy: -930.726 where: short stacking energy: -396.567 Base-Backbone interact. energy: 2.352 local terms energy: -448.186729 where: bonds (distance) C4'-P energy: -100.542 bonds (distance) P-C4' energy: -82.311 flat angles C4'-P-C4' energy: -88.618 flat angles P-C4'-P energy: -60.672 tors. eta vs tors. theta energy: -116.044 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: 7, replica: 5 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1135.194289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.194289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.194289 (E_RNA) where: Base-Base interactions energy: -752.306 where: short stacking energy: -338.489 Base-Backbone interact. energy: 1.425 local terms energy: -384.313119 where: bonds (distance) C4'-P energy: -76.756 bonds (distance) P-C4' energy: -80.556 flat angles C4'-P-C4' energy: -99.128 flat angles P-C4'-P energy: -59.518 tors. eta vs tors. theta energy: -68.354 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: 462 Temperature: 1.250000 Total energy: -929.064560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.064560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.064560 (E_RNA) where: Base-Base interactions energy: -575.596 where: short stacking energy: -301.993 Base-Backbone interact. energy: -0.543 local terms energy: -352.925043 where: bonds (distance) C4'-P energy: -63.531 bonds (distance) P-C4' energy: -82.576 flat angles C4'-P-C4' energy: -89.058 flat angles P-C4'-P energy: -51.440 tors. eta vs tors. theta energy: -66.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -691.768259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.768259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.768259 (E_RNA) where: Base-Base interactions energy: -400.891 where: short stacking energy: -186.289 Base-Backbone interact. energy: 4.401 local terms energy: -295.277558 where: bonds (distance) C4'-P energy: -70.783 bonds (distance) P-C4' energy: -96.733 flat angles C4'-P-C4' energy: -55.781 flat angles P-C4'-P energy: -47.099 tors. eta vs tors. theta energy: -24.882 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: 3 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -608.450275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.450275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.450275 (E_RNA) where: Base-Base interactions energy: -329.166 where: short stacking energy: -192.418 Base-Backbone interact. energy: -0.816 local terms energy: -278.468505 where: bonds (distance) C4'-P energy: -70.484 bonds (distance) P-C4' energy: -77.584 flat angles C4'-P-C4' energy: -55.621 flat angles P-C4'-P energy: -56.621 tors. eta vs tors. theta energy: -18.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1719.688194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.688194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.688194 (E_RNA) where: Base-Base interactions energy: -1189.655 where: short stacking energy: -509.566 Base-Backbone interact. energy: -1.345 local terms energy: -528.688627 where: bonds (distance) C4'-P energy: -83.991 bonds (distance) P-C4' energy: -98.739 flat angles C4'-P-C4' energy: -116.524 flat angles P-C4'-P energy: -76.705 tors. eta vs tors. theta energy: -152.729 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: 463 Temperature: 0.950000 Total energy: -1667.569275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.569275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.569275 (E_RNA) where: Base-Base interactions energy: -1159.073 where: short stacking energy: -512.288 Base-Backbone interact. energy: -0.242 local terms energy: -508.254052 where: bonds (distance) C4'-P energy: -93.896 bonds (distance) P-C4' energy: -92.984 flat angles C4'-P-C4' energy: -112.007 flat angles P-C4'-P energy: -58.346 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: 3, replica: 6 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1647.991123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.991123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.991123 (E_RNA) where: Base-Base interactions energy: -1144.713 where: short stacking energy: -515.572 Base-Backbone interact. energy: -0.220 local terms energy: -503.057947 where: bonds (distance) C4'-P energy: -87.717 bonds (distance) P-C4' energy: -85.014 flat angles C4'-P-C4' energy: -106.835 flat angles P-C4'-P energy: -74.147 tors. eta vs tors. theta energy: -149.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -1595.495147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.495147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.495147 (E_RNA) where: Base-Base interactions energy: -1123.144 where: short stacking energy: -474.081 Base-Backbone interact. energy: -1.486 local terms energy: -470.864856 where: bonds (distance) C4'-P energy: -86.446 bonds (distance) P-C4' energy: -86.905 flat angles C4'-P-C4' energy: -96.409 flat angles P-C4'-P energy: -69.675 tors. eta vs tors. theta energy: -131.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -1474.573102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.573102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.573102 (E_RNA) where: Base-Base interactions energy: -1031.164 where: short stacking energy: -423.960 Base-Backbone interact. energy: -2.669 local terms energy: -440.740195 where: bonds (distance) C4'-P energy: -69.453 bonds (distance) P-C4' energy: -83.930 flat angles C4'-P-C4' energy: -105.972 flat angles P-C4'-P energy: -60.552 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: 6, replica: 4 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1273.831960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.831960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.831960 (E_RNA) where: Base-Base interactions energy: -854.053 where: short stacking energy: -366.995 Base-Backbone interact. energy: -0.508 local terms energy: -419.270646 where: bonds (distance) C4'-P energy: -84.806 bonds (distance) P-C4' energy: -97.573 flat angles C4'-P-C4' energy: -92.400 flat angles P-C4'-P energy: -48.001 tors. eta vs tors. theta energy: -96.491 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: 5 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1097.598284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.598284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.598284 (E_RNA) where: Base-Base interactions energy: -696.453 where: short stacking energy: -329.976 Base-Backbone interact. energy: -0.186 local terms energy: -400.959330 where: bonds (distance) C4'-P energy: -81.250 bonds (distance) P-C4' energy: -87.063 flat angles C4'-P-C4' energy: -95.676 flat angles P-C4'-P energy: -66.823 tors. eta vs tors. theta energy: -70.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -936.882873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.882873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.882873 (E_RNA) where: Base-Base interactions energy: -582.130 where: short stacking energy: -290.231 Base-Backbone interact. energy: 1.932 local terms energy: -356.685191 where: bonds (distance) C4'-P energy: -89.926 bonds (distance) P-C4' energy: -91.719 flat angles C4'-P-C4' energy: -74.128 flat angles P-C4'-P energy: -46.962 tors. eta vs tors. theta energy: -53.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -682.773905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.773905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.773905 (E_RNA) where: Base-Base interactions energy: -385.177 where: short stacking energy: -222.334 Base-Backbone interact. energy: -0.046 local terms energy: -297.550754 where: bonds (distance) C4'-P energy: -76.813 bonds (distance) P-C4' energy: -98.627 flat angles C4'-P-C4' energy: -59.986 flat angles P-C4'-P energy: -33.544 tors. eta vs tors. theta energy: -28.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -584.067002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.067002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.067002 (E_RNA) where: Base-Base interactions energy: -302.098 where: short stacking energy: -168.059 Base-Backbone interact. energy: 0.777 local terms energy: -282.746405 where: bonds (distance) C4'-P energy: -84.784 bonds (distance) P-C4' energy: -93.461 flat angles C4'-P-C4' energy: -59.846 flat angles P-C4'-P energy: -49.283 tors. eta vs tors. theta energy: 4.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1729.608368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.608368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.608368 (E_RNA) where: Base-Base interactions energy: -1174.660 where: short stacking energy: -524.804 Base-Backbone interact. energy: -3.350 local terms energy: -551.597924 where: bonds (distance) C4'-P energy: -89.785 bonds (distance) P-C4' energy: -99.459 flat angles C4'-P-C4' energy: -121.185 flat angles P-C4'-P energy: -88.220 tors. eta vs tors. theta energy: -152.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1663.527958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.527958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.527958 (E_RNA) where: Base-Base interactions energy: -1154.949 where: short stacking energy: -504.244 Base-Backbone interact. energy: -2.093 local terms energy: -506.486471 where: bonds (distance) C4'-P energy: -93.481 bonds (distance) P-C4' energy: -101.830 flat angles C4'-P-C4' energy: -99.111 flat angles P-C4'-P energy: -63.548 tors. eta vs tors. theta energy: -148.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1638.263848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.263848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.263848 (E_RNA) where: Base-Base interactions energy: -1131.519 where: short stacking energy: -503.052 Base-Backbone interact. energy: 0.021 local terms energy: -506.765494 where: bonds (distance) C4'-P energy: -92.352 bonds (distance) P-C4' energy: -91.983 flat angles C4'-P-C4' energy: -106.705 flat angles P-C4'-P energy: -63.276 tors. eta vs tors. theta energy: -152.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1599.162511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.162511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.162511 (E_RNA) where: Base-Base interactions energy: -1098.435 where: short stacking energy: -471.592 Base-Backbone interact. energy: -0.770 local terms energy: -499.957569 where: bonds (distance) C4'-P energy: -88.779 bonds (distance) P-C4' energy: -73.945 flat angles C4'-P-C4' energy: -117.992 flat angles P-C4'-P energy: -73.472 tors. eta vs tors. theta energy: -145.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -1448.672558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.672558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.672558 (E_RNA) where: Base-Base interactions energy: -998.369 where: short stacking energy: -392.502 Base-Backbone interact. energy: -1.247 local terms energy: -449.056856 where: bonds (distance) C4'-P energy: -85.717 bonds (distance) P-C4' energy: -102.774 flat angles C4'-P-C4' energy: -93.646 flat angles P-C4'-P energy: -56.707 tors. eta vs tors. theta energy: -110.213 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: 4 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -1287.668145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.668145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.668145 (E_RNA) where: Base-Base interactions energy: -844.800 where: short stacking energy: -349.647 Base-Backbone interact. energy: -2.133 local terms energy: -440.735354 where: bonds (distance) C4'-P energy: -83.639 bonds (distance) P-C4' energy: -92.750 flat angles C4'-P-C4' energy: -99.214 flat angles P-C4'-P energy: -60.106 tors. eta vs tors. theta energy: -105.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1142.673196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.673196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.673196 (E_RNA) where: Base-Base interactions energy: -747.279 where: short stacking energy: -342.563 Base-Backbone interact. energy: 2.323 local terms energy: -397.717232 where: bonds (distance) C4'-P energy: -77.589 bonds (distance) P-C4' energy: -90.343 flat angles C4'-P-C4' energy: -94.368 flat angles P-C4'-P energy: -50.374 tors. eta vs tors. theta energy: -85.043 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: 1 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -949.770363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.770363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.770363 (E_RNA) where: Base-Base interactions energy: -614.641 where: short stacking energy: -279.861 Base-Backbone interact. energy: -0.513 local terms energy: -334.615851 where: bonds (distance) C4'-P energy: -72.825 bonds (distance) P-C4' energy: -78.655 flat angles C4'-P-C4' energy: -92.962 flat angles P-C4'-P energy: -35.456 tors. eta vs tors. theta energy: -54.718 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: 9, replica: 9 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -687.460996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.460996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.460996 (E_RNA) where: Base-Base interactions energy: -370.027 where: short stacking energy: -195.375 Base-Backbone interact. energy: 4.110 local terms energy: -321.544350 where: bonds (distance) C4'-P energy: -99.527 bonds (distance) P-C4' energy: -73.413 flat angles C4'-P-C4' energy: -85.084 flat angles P-C4'-P energy: -47.693 tors. eta vs tors. theta energy: -15.828 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: 3 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -549.431859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.431859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.431859 (E_RNA) where: Base-Base interactions energy: -288.846 where: short stacking energy: -154.817 Base-Backbone interact. energy: -0.812 local terms energy: -259.773346 where: bonds (distance) C4'-P energy: -70.412 bonds (distance) P-C4' energy: -89.506 flat angles C4'-P-C4' energy: -72.385 flat angles P-C4'-P energy: -29.507 tors. eta vs tors. theta energy: 2.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1727.904604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.904604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.904604 (E_RNA) where: Base-Base interactions energy: -1181.514 where: short stacking energy: -488.962 Base-Backbone interact. energy: -2.208 local terms energy: -544.182614 where: bonds (distance) C4'-P energy: -106.119 bonds (distance) P-C4' energy: -96.558 flat angles C4'-P-C4' energy: -113.361 flat angles P-C4'-P energy: -77.265 tors. eta vs tors. theta energy: -150.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1689.272994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.272994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.272994 (E_RNA) where: Base-Base interactions energy: -1152.642 where: short stacking energy: -508.890 Base-Backbone interact. energy: -2.551 local terms energy: -534.080288 where: bonds (distance) C4'-P energy: -85.240 bonds (distance) P-C4' energy: -101.140 flat angles C4'-P-C4' energy: -113.287 flat angles P-C4'-P energy: -76.530 tors. eta vs tors. theta energy: -157.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1641.256145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.256145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.256145 (E_RNA) where: Base-Base interactions energy: -1138.674 where: short stacking energy: -500.883 Base-Backbone interact. energy: -1.664 local terms energy: -500.918111 where: bonds (distance) C4'-P energy: -79.860 bonds (distance) P-C4' energy: -96.483 flat angles C4'-P-C4' energy: -109.809 flat angles P-C4'-P energy: -75.712 tors. eta vs tors. theta energy: -139.054 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: 8 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1569.378434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.378434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.378434 (E_RNA) where: Base-Base interactions energy: -1079.000 where: short stacking energy: -453.167 Base-Backbone interact. energy: -2.688 local terms energy: -487.689646 where: bonds (distance) C4'-P energy: -85.804 bonds (distance) P-C4' energy: -87.147 flat angles C4'-P-C4' energy: -109.177 flat angles P-C4'-P energy: -73.750 tors. eta vs tors. theta energy: -131.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -1402.430658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.430658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.430658 (E_RNA) where: Base-Base interactions energy: -986.675 where: short stacking energy: -409.760 Base-Backbone interact. energy: -0.574 local terms energy: -415.181828 where: bonds (distance) C4'-P energy: -78.174 bonds (distance) P-C4' energy: -85.958 flat angles C4'-P-C4' energy: -79.143 flat angles P-C4'-P energy: -60.565 tors. eta vs tors. theta energy: -111.342 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: 4 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -1309.552827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.552827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.552827 (E_RNA) where: Base-Base interactions energy: -912.570 where: short stacking energy: -385.071 Base-Backbone interact. energy: 0.013 local terms energy: -396.996353 where: bonds (distance) C4'-P energy: -80.106 bonds (distance) P-C4' energy: -78.400 flat angles C4'-P-C4' energy: -83.484 flat angles P-C4'-P energy: -58.149 tors. eta vs tors. theta energy: -96.858 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: 7, replica: 5 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1196.380252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.380252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.380252 (E_RNA) where: Base-Base interactions energy: -748.867 where: short stacking energy: -348.346 Base-Backbone interact. energy: -3.011 local terms energy: -444.502310 where: bonds (distance) C4'-P energy: -81.620 bonds (distance) P-C4' energy: -97.496 flat angles C4'-P-C4' energy: -96.629 flat angles P-C4'-P energy: -70.904 tors. eta vs tors. theta energy: -97.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -955.368000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.368000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.368000 (E_RNA) where: Base-Base interactions energy: -588.556 where: short stacking energy: -309.567 Base-Backbone interact. energy: 1.672 local terms energy: -368.483825 where: bonds (distance) C4'-P energy: -91.912 bonds (distance) P-C4' energy: -83.815 flat angles C4'-P-C4' energy: -80.518 flat angles P-C4'-P energy: -50.513 tors. eta vs tors. theta energy: -61.727 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: 9 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -700.891092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.891092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.891092 (E_RNA) where: Base-Base interactions energy: -392.357 where: short stacking energy: -223.941 Base-Backbone interact. energy: 1.015 local terms energy: -309.549097 where: bonds (distance) C4'-P energy: -83.202 bonds (distance) P-C4' energy: -77.442 flat angles C4'-P-C4' energy: -77.505 flat angles P-C4'-P energy: -45.907 tors. eta vs tors. theta energy: -25.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -592.760073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.760073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.760073 (E_RNA) where: Base-Base interactions energy: -299.015 where: short stacking energy: -178.857 Base-Backbone interact. energy: 0.979 local terms energy: -294.724505 where: bonds (distance) C4'-P energy: -70.813 bonds (distance) P-C4' energy: -82.386 flat angles C4'-P-C4' energy: -77.434 flat angles P-C4'-P energy: -45.572 tors. eta vs tors. theta energy: -18.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1738.817524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.817524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.817524 (E_RNA) where: Base-Base interactions energy: -1195.371 where: short stacking energy: -526.835 Base-Backbone interact. energy: -1.182 local terms energy: -542.264531 where: bonds (distance) C4'-P energy: -95.559 bonds (distance) P-C4' energy: -94.707 flat angles C4'-P-C4' energy: -113.086 flat angles P-C4'-P energy: -76.737 tors. eta vs tors. theta energy: -162.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1684.528613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.528613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.528613 (E_RNA) where: Base-Base interactions energy: -1170.079 where: short stacking energy: -516.664 Base-Backbone interact. energy: -1.528 local terms energy: -512.921372 where: bonds (distance) C4'-P energy: -91.378 bonds (distance) P-C4' energy: -84.978 flat angles C4'-P-C4' energy: -113.351 flat angles P-C4'-P energy: -74.364 tors. eta vs tors. theta energy: -148.850 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: 2 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1629.626051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.626051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.626051 (E_RNA) where: Base-Base interactions energy: -1126.575 where: short stacking energy: -468.023 Base-Backbone interact. energy: -0.978 local terms energy: -502.073500 where: bonds (distance) C4'-P energy: -94.368 bonds (distance) P-C4' energy: -89.474 flat angles C4'-P-C4' energy: -110.976 flat angles P-C4'-P energy: -67.542 tors. eta vs tors. theta energy: -139.712 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: 4, replica: 8 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1548.817924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.817924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.817924 (E_RNA) where: Base-Base interactions energy: -1068.505 where: short stacking energy: -475.920 Base-Backbone interact. energy: -3.048 local terms energy: -477.265228 where: bonds (distance) C4'-P energy: -84.812 bonds (distance) P-C4' energy: -84.477 flat angles C4'-P-C4' energy: -109.276 flat angles P-C4'-P energy: -62.933 tors. eta vs tors. theta energy: -135.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -1428.817186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.817186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.817186 (E_RNA) where: Base-Base interactions energy: -992.845 where: short stacking energy: -406.533 Base-Backbone interact. energy: -1.992 local terms energy: -433.980983 where: bonds (distance) C4'-P energy: -75.146 bonds (distance) P-C4' energy: -83.509 flat angles C4'-P-C4' energy: -98.280 flat angles P-C4'-P energy: -66.661 tors. eta vs tors. theta energy: -110.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -1329.152698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.152698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.152698 (E_RNA) where: Base-Base interactions energy: -924.586 where: short stacking energy: -383.039 Base-Backbone interact. energy: -2.800 local terms energy: -401.766659 where: bonds (distance) C4'-P energy: -77.781 bonds (distance) P-C4' energy: -86.095 flat angles C4'-P-C4' energy: -96.284 flat angles P-C4'-P energy: -43.865 tors. eta vs tors. theta energy: -97.742 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: 5 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1129.184484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.184484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.184484 (E_RNA) where: Base-Base interactions energy: -725.574 where: short stacking energy: -343.624 Base-Backbone interact. energy: 5.265 local terms energy: -408.875824 where: bonds (distance) C4'-P energy: -71.863 bonds (distance) P-C4' energy: -95.825 flat angles C4'-P-C4' energy: -99.713 flat angles P-C4'-P energy: -58.129 tors. eta vs tors. theta energy: -83.345 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: 1 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -880.491236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.491236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.491236 (E_RNA) where: Base-Base interactions energy: -533.776 where: short stacking energy: -257.401 Base-Backbone interact. energy: 5.194 local terms energy: -351.909268 where: bonds (distance) C4'-P energy: -75.472 bonds (distance) P-C4' energy: -90.373 flat angles C4'-P-C4' energy: -72.349 flat angles P-C4'-P energy: -49.957 tors. eta vs tors. theta energy: -63.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -718.868191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.868191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.868191 (E_RNA) where: Base-Base interactions energy: -389.355 where: short stacking energy: -192.735 Base-Backbone interact. energy: -0.298 local terms energy: -329.215117 where: bonds (distance) C4'-P energy: -85.953 bonds (distance) P-C4' energy: -86.875 flat angles C4'-P-C4' energy: -91.207 flat angles P-C4'-P energy: -47.934 tors. eta vs tors. theta energy: -17.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -540.840354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.840354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.840354 (E_RNA) where: Base-Base interactions energy: -262.937 where: short stacking energy: -149.615 Base-Backbone interact. energy: -1.090 local terms energy: -276.813503 where: bonds (distance) C4'-P energy: -74.105 bonds (distance) P-C4' energy: -75.881 flat angles C4'-P-C4' energy: -79.832 flat angles P-C4'-P energy: -37.315 tors. eta vs tors. theta energy: -9.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1749.825738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.825738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.825738 (E_RNA) where: Base-Base interactions energy: -1223.962 where: short stacking energy: -545.763 Base-Backbone interact. energy: -0.338 local terms energy: -525.526148 where: bonds (distance) C4'-P energy: -86.149 bonds (distance) P-C4' energy: -91.552 flat angles C4'-P-C4' energy: -110.766 flat angles P-C4'-P energy: -77.233 tors. eta vs tors. theta energy: -159.827 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: 2 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1693.323168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.323168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.323168 (E_RNA) where: Base-Base interactions energy: -1180.560 where: short stacking energy: -498.429 Base-Backbone interact. energy: -0.612 local terms energy: -512.151558 where: bonds (distance) C4'-P energy: -89.915 bonds (distance) P-C4' energy: -100.766 flat angles C4'-P-C4' energy: -110.207 flat angles P-C4'-P energy: -65.365 tors. eta vs tors. theta energy: -145.899 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: 7 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1662.856853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.856853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.856853 (E_RNA) where: Base-Base interactions energy: -1128.537 where: short stacking energy: -509.809 Base-Backbone interact. energy: -2.105 local terms energy: -532.214006 where: bonds (distance) C4'-P energy: -104.592 bonds (distance) P-C4' energy: -98.058 flat angles C4'-P-C4' energy: -100.382 flat angles P-C4'-P energy: -76.413 tors. eta vs tors. theta energy: -152.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -1593.673778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.673778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.673778 (E_RNA) where: Base-Base interactions energy: -1109.400 where: short stacking energy: -479.015 Base-Backbone interact. energy: 1.064 local terms energy: -485.337988 where: bonds (distance) C4'-P energy: -75.629 bonds (distance) P-C4' energy: -100.328 flat angles C4'-P-C4' energy: -96.785 flat angles P-C4'-P energy: -73.510 tors. eta vs tors. theta energy: -139.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -1470.128573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.128573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.128573 (E_RNA) where: Base-Base interactions energy: -991.216 where: short stacking energy: -400.108 Base-Backbone interact. energy: -0.652 local terms energy: -478.260577 where: bonds (distance) C4'-P energy: -90.986 bonds (distance) P-C4' energy: -96.438 flat angles C4'-P-C4' energy: -97.672 flat angles P-C4'-P energy: -63.026 tors. eta vs tors. theta energy: -130.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -1323.315039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.315039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.315039 (E_RNA) where: Base-Base interactions energy: -895.018 where: short stacking energy: -383.449 Base-Backbone interact. energy: -2.435 local terms energy: -425.862452 where: bonds (distance) C4'-P energy: -83.667 bonds (distance) P-C4' energy: -86.639 flat angles C4'-P-C4' energy: -99.634 flat angles P-C4'-P energy: -57.919 tors. eta vs tors. theta energy: -98.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1066.560136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.560136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.560136 (E_RNA) where: Base-Base interactions energy: -691.832 where: short stacking energy: -304.550 Base-Backbone interact. energy: 0.290 local terms energy: -375.018204 where: bonds (distance) C4'-P energy: -73.911 bonds (distance) P-C4' energy: -87.241 flat angles C4'-P-C4' energy: -84.203 flat angles P-C4'-P energy: -57.217 tors. eta vs tors. theta energy: -72.447 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: 467 Temperature: 1.250000 Total energy: -900.471654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.471654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.471654 (E_RNA) where: Base-Base interactions energy: -569.880 where: short stacking energy: -259.353 Base-Backbone interact. energy: -0.893 local terms energy: -329.699331 where: bonds (distance) C4'-P energy: -78.757 bonds (distance) P-C4' energy: -78.609 flat angles C4'-P-C4' energy: -70.459 flat angles P-C4'-P energy: -52.292 tors. eta vs tors. theta energy: -49.582 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: 9 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -747.467785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.467785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.467785 (E_RNA) where: Base-Base interactions energy: -446.311 where: short stacking energy: -209.536 Base-Backbone interact. energy: 2.001 local terms energy: -303.158045 where: bonds (distance) C4'-P energy: -77.217 bonds (distance) P-C4' energy: -84.144 flat angles C4'-P-C4' energy: -68.094 flat angles P-C4'-P energy: -51.516 tors. eta vs tors. theta energy: -22.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -563.202363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.202363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.202363 (E_RNA) where: Base-Base interactions energy: -270.715 where: short stacking energy: -150.000 Base-Backbone interact. energy: -2.483 local terms energy: -290.004149 where: bonds (distance) C4'-P energy: -91.187 bonds (distance) P-C4' energy: -76.755 flat angles C4'-P-C4' energy: -68.126 flat angles P-C4'-P energy: -40.462 tors. eta vs tors. theta energy: -13.474 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: 6 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1734.227006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.227006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.227006 (E_RNA) where: Base-Base interactions energy: -1190.749 where: short stacking energy: -531.564 Base-Backbone interact. energy: -1.539 local terms energy: -541.939403 where: bonds (distance) C4'-P energy: -96.526 bonds (distance) P-C4' energy: -97.203 flat angles C4'-P-C4' energy: -114.117 flat angles P-C4'-P energy: -73.151 tors. eta vs tors. theta energy: -160.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1642.457181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.457181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.457181 (E_RNA) where: Base-Base interactions energy: -1128.906 where: short stacking energy: -496.845 Base-Backbone interact. energy: -1.965 local terms energy: -511.585794 where: bonds (distance) C4'-P energy: -88.971 bonds (distance) P-C4' energy: -106.253 flat angles C4'-P-C4' energy: -112.988 flat angles P-C4'-P energy: -58.564 tors. eta vs tors. theta energy: -144.810 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: 7 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1645.277580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.277580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.277580 (E_RNA) where: Base-Base interactions energy: -1145.337 where: short stacking energy: -478.763 Base-Backbone interact. energy: -3.371 local terms energy: -496.568751 where: bonds (distance) C4'-P energy: -79.797 bonds (distance) P-C4' energy: -87.311 flat angles C4'-P-C4' energy: -115.865 flat angles P-C4'-P energy: -66.562 tors. eta vs tors. theta energy: -147.033 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: 8 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1567.933439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.933439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.933439 (E_RNA) where: Base-Base interactions energy: -1121.218 where: short stacking energy: -474.506 Base-Backbone interact. energy: -3.029 local terms energy: -443.686448 where: bonds (distance) C4'-P energy: -71.972 bonds (distance) P-C4' energy: -86.945 flat angles C4'-P-C4' energy: -92.238 flat angles P-C4'-P energy: -58.499 tors. eta vs tors. theta energy: -134.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1480.853069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.853069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.853069 (E_RNA) where: Base-Base interactions energy: -1016.459 where: short stacking energy: -424.082 Base-Backbone interact. energy: -0.530 local terms energy: -463.864283 where: bonds (distance) C4'-P energy: -83.618 bonds (distance) P-C4' energy: -95.907 flat angles C4'-P-C4' energy: -97.564 flat angles P-C4'-P energy: -63.844 tors. eta vs tors. theta energy: -122.933 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: 4 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1298.727366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.727366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.727366 (E_RNA) where: Base-Base interactions energy: -899.099 where: short stacking energy: -371.294 Base-Backbone interact. energy: -0.879 local terms energy: -398.749586 where: bonds (distance) C4'-P energy: -78.761 bonds (distance) P-C4' energy: -71.883 flat angles C4'-P-C4' energy: -94.417 flat angles P-C4'-P energy: -56.576 tors. eta vs tors. theta energy: -97.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1058.949864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.949864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.949864 (E_RNA) where: Base-Base interactions energy: -688.379 where: short stacking energy: -322.906 Base-Backbone interact. energy: -1.145 local terms energy: -369.426328 where: bonds (distance) C4'-P energy: -75.877 bonds (distance) P-C4' energy: -76.107 flat angles C4'-P-C4' energy: -80.767 flat angles P-C4'-P energy: -63.563 tors. eta vs tors. theta energy: -73.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -907.298777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.298777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.298777 (E_RNA) where: Base-Base interactions energy: -568.021 where: short stacking energy: -263.006 Base-Backbone interact. energy: -0.123 local terms energy: -339.155088 where: bonds (distance) C4'-P energy: -90.978 bonds (distance) P-C4' energy: -78.448 flat angles C4'-P-C4' energy: -70.771 flat angles P-C4'-P energy: -48.271 tors. eta vs tors. theta energy: -50.687 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: 9, replica: 9 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -720.541168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.541168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.541168 (E_RNA) where: Base-Base interactions energy: -436.968 where: short stacking energy: -223.049 Base-Backbone interact. energy: -3.199 local terms energy: -280.374567 where: bonds (distance) C4'-P energy: -59.713 bonds (distance) P-C4' energy: -77.360 flat angles C4'-P-C4' energy: -60.838 flat angles P-C4'-P energy: -50.097 tors. eta vs tors. theta energy: -32.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -542.988966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.988966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.988966 (E_RNA) where: Base-Base interactions energy: -272.988 where: short stacking energy: -161.243 Base-Backbone interact. energy: 5.811 local terms energy: -275.811767 where: bonds (distance) C4'-P energy: -71.618 bonds (distance) P-C4' energy: -76.408 flat angles C4'-P-C4' energy: -67.097 flat angles P-C4'-P energy: -47.799 tors. eta vs tors. theta energy: -12.890 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: 6 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1728.410825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.410825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.410825 (E_RNA) where: Base-Base interactions energy: -1180.550 where: short stacking energy: -533.243 Base-Backbone interact. energy: -2.959 local terms energy: -544.901292 where: bonds (distance) C4'-P energy: -108.548 bonds (distance) P-C4' energy: -93.775 flat angles C4'-P-C4' energy: -114.167 flat angles P-C4'-P energy: -76.896 tors. eta vs tors. theta energy: -151.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1680.920373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.920373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.920373 (E_RNA) where: Base-Base interactions energy: -1174.105 where: short stacking energy: -498.592 Base-Backbone interact. energy: -4.616 local terms energy: -502.199271 where: bonds (distance) C4'-P energy: -86.465 bonds (distance) P-C4' energy: -101.071 flat angles C4'-P-C4' energy: -101.315 flat angles P-C4'-P energy: -70.172 tors. eta vs tors. theta energy: -143.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1621.395739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.395739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.395739 (E_RNA) where: Base-Base interactions energy: -1138.945 where: short stacking energy: -487.920 Base-Backbone interact. energy: -0.658 local terms energy: -481.792227 where: bonds (distance) C4'-P energy: -86.004 bonds (distance) P-C4' energy: -82.632 flat angles C4'-P-C4' energy: -107.083 flat angles P-C4'-P energy: -69.811 tors. eta vs tors. theta energy: -136.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1540.078927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.078927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.078927 (E_RNA) where: Base-Base interactions energy: -1055.646 where: short stacking energy: -447.569 Base-Backbone interact. energy: -1.965 local terms energy: -482.468675 where: bonds (distance) C4'-P energy: -91.731 bonds (distance) P-C4' energy: -85.652 flat angles C4'-P-C4' energy: -105.434 flat angles P-C4'-P energy: -75.207 tors. eta vs tors. theta energy: -124.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -1472.243421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.243421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.243421 (E_RNA) where: Base-Base interactions energy: -1017.212 where: short stacking energy: -408.660 Base-Backbone interact. energy: -1.999 local terms energy: -453.032848 where: bonds (distance) C4'-P energy: -82.463 bonds (distance) P-C4' energy: -88.310 flat angles C4'-P-C4' energy: -91.201 flat angles P-C4'-P energy: -76.893 tors. eta vs tors. theta energy: -114.166 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: 6, replica: 4 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1211.073308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.073308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.073308 (E_RNA) where: Base-Base interactions energy: -777.076 where: short stacking energy: -352.053 Base-Backbone interact. energy: -2.368 local terms energy: -431.628926 where: bonds (distance) C4'-P energy: -84.330 bonds (distance) P-C4' energy: -89.055 flat angles C4'-P-C4' energy: -103.132 flat angles P-C4'-P energy: -62.273 tors. eta vs tors. theta energy: -92.840 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: 5 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1104.470506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.470506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.470506 (E_RNA) where: Base-Base interactions energy: -703.552 where: short stacking energy: -319.020 Base-Backbone interact. energy: -2.756 local terms energy: -398.162574 where: bonds (distance) C4'-P energy: -84.542 bonds (distance) P-C4' energy: -83.867 flat angles C4'-P-C4' energy: -94.659 flat angles P-C4'-P energy: -49.335 tors. eta vs tors. theta energy: -85.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -933.829110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.829110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.829110 (E_RNA) where: Base-Base interactions energy: -560.918 where: short stacking energy: -275.199 Base-Backbone interact. energy: 1.170 local terms energy: -374.081706 where: bonds (distance) C4'-P energy: -80.069 bonds (distance) P-C4' energy: -88.981 flat angles C4'-P-C4' energy: -91.838 flat angles P-C4'-P energy: -58.725 tors. eta vs tors. theta energy: -54.470 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: 9 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -736.184973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.184973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.184973 (E_RNA) where: Base-Base interactions energy: -418.011 where: short stacking energy: -178.691 Base-Backbone interact. energy: -2.423 local terms energy: -315.751684 where: bonds (distance) C4'-P energy: -62.740 bonds (distance) P-C4' energy: -86.110 flat angles C4'-P-C4' energy: -83.750 flat angles P-C4'-P energy: -49.927 tors. eta vs tors. theta energy: -33.224 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: 3 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -546.410538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.410538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.410538 (E_RNA) where: Base-Base interactions energy: -279.525 where: short stacking energy: -166.636 Base-Backbone interact. energy: -1.343 local terms energy: -265.542857 where: bonds (distance) C4'-P energy: -73.458 bonds (distance) P-C4' energy: -66.278 flat angles C4'-P-C4' energy: -77.573 flat angles P-C4'-P energy: -47.759 tors. eta vs tors. theta energy: -0.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1735.643212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.643212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.643212 (E_RNA) where: Base-Base interactions energy: -1212.774 where: short stacking energy: -519.965 Base-Backbone interact. energy: -0.472 local terms energy: -522.397373 where: bonds (distance) C4'-P energy: -79.490 bonds (distance) P-C4' energy: -103.880 flat angles C4'-P-C4' energy: -115.718 flat angles P-C4'-P energy: -72.742 tors. eta vs tors. theta energy: -150.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1702.820834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.820834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.820834 (E_RNA) where: Base-Base interactions energy: -1164.222 where: short stacking energy: -503.313 Base-Backbone interact. energy: -0.089 local terms energy: -538.509790 where: bonds (distance) C4'-P energy: -100.537 bonds (distance) P-C4' energy: -89.783 flat angles C4'-P-C4' energy: -107.562 flat angles P-C4'-P energy: -77.856 tors. eta vs tors. theta energy: -162.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1633.996300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.996300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.996300 (E_RNA) where: Base-Base interactions energy: -1140.441 where: short stacking energy: -489.890 Base-Backbone interact. energy: -1.235 local terms energy: -492.320230 where: bonds (distance) C4'-P energy: -79.732 bonds (distance) P-C4' energy: -92.901 flat angles C4'-P-C4' energy: -103.556 flat angles P-C4'-P energy: -77.356 tors. eta vs tors. theta energy: -138.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1568.362728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.362728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.362728 (E_RNA) where: Base-Base interactions energy: -1089.830 where: short stacking energy: -478.492 Base-Backbone interact. energy: -1.513 local terms energy: -477.019688 where: bonds (distance) C4'-P energy: -87.805 bonds (distance) P-C4' energy: -94.628 flat angles C4'-P-C4' energy: -97.145 flat angles P-C4'-P energy: -66.544 tors. eta vs tors. theta energy: -130.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -1484.814223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.814223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.814223 (E_RNA) where: Base-Base interactions energy: -1008.190 where: short stacking energy: -427.812 Base-Backbone interact. energy: -1.132 local terms energy: -475.491498 where: bonds (distance) C4'-P energy: -79.702 bonds (distance) P-C4' energy: -99.683 flat angles C4'-P-C4' energy: -89.963 flat angles P-C4'-P energy: -74.228 tors. eta vs tors. theta energy: -131.916 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: 4 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1290.685554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.685554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.685554 (E_RNA) where: Base-Base interactions energy: -868.201 where: short stacking energy: -385.678 Base-Backbone interact. energy: -1.869 local terms energy: -420.615479 where: bonds (distance) C4'-P energy: -79.259 bonds (distance) P-C4' energy: -89.127 flat angles C4'-P-C4' energy: -89.188 flat angles P-C4'-P energy: -55.499 tors. eta vs tors. theta energy: -107.542 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: 5 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1125.664340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.664340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.664340 (E_RNA) where: Base-Base interactions energy: -755.778 where: short stacking energy: -325.585 Base-Backbone interact. energy: -0.580 local terms energy: -369.306016 where: bonds (distance) C4'-P energy: -82.727 bonds (distance) P-C4' energy: -80.305 flat angles C4'-P-C4' energy: -82.214 flat angles P-C4'-P energy: -43.849 tors. eta vs tors. theta energy: -80.212 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: 1 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -945.793801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.793801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.793801 (E_RNA) where: Base-Base interactions energy: -592.585 where: short stacking energy: -308.306 Base-Backbone interact. energy: 0.605 local terms energy: -353.814136 where: bonds (distance) C4'-P energy: -72.425 bonds (distance) P-C4' energy: -87.671 flat angles C4'-P-C4' energy: -77.869 flat angles P-C4'-P energy: -50.033 tors. eta vs tors. theta energy: -65.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -725.477071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.477071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.477071 (E_RNA) where: Base-Base interactions energy: -423.508 where: short stacking energy: -219.717 Base-Backbone interact. energy: -1.142 local terms energy: -300.827516 where: bonds (distance) C4'-P energy: -81.585 bonds (distance) P-C4' energy: -84.425 flat angles C4'-P-C4' energy: -67.956 flat angles P-C4'-P energy: -37.757 tors. eta vs tors. theta energy: -29.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -547.713665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.713665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.713665 (E_RNA) where: Base-Base interactions energy: -283.060 where: short stacking energy: -170.177 Base-Backbone interact. energy: -0.973 local terms energy: -263.681082 where: bonds (distance) C4'-P energy: -69.010 bonds (distance) P-C4' energy: -90.385 flat angles C4'-P-C4' energy: -48.281 flat angles P-C4'-P energy: -49.797 tors. eta vs tors. theta energy: -6.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1725.777952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.777952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.777952 (E_RNA) where: Base-Base interactions energy: -1199.471 where: short stacking energy: -484.201 Base-Backbone interact. energy: -1.995 local terms energy: -524.312274 where: bonds (distance) C4'-P energy: -97.688 bonds (distance) P-C4' energy: -99.163 flat angles C4'-P-C4' energy: -107.801 flat angles P-C4'-P energy: -74.834 tors. eta vs tors. theta energy: -144.826 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: 2 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1689.141483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.141483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.141483 (E_RNA) where: Base-Base interactions energy: -1176.963 where: short stacking energy: -497.324 Base-Backbone interact. energy: 0.222 local terms energy: -512.400296 where: bonds (distance) C4'-P energy: -92.051 bonds (distance) P-C4' energy: -92.643 flat angles C4'-P-C4' energy: -111.742 flat angles P-C4'-P energy: -77.755 tors. eta vs tors. theta energy: -138.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1660.355307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.355307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.355307 (E_RNA) where: Base-Base interactions energy: -1140.981 where: short stacking energy: -509.257 Base-Backbone interact. energy: -1.029 local terms energy: -518.345494 where: bonds (distance) C4'-P energy: -94.952 bonds (distance) P-C4' energy: -75.837 flat angles C4'-P-C4' energy: -118.305 flat angles P-C4'-P energy: -69.456 tors. eta vs tors. theta energy: -159.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -1546.265694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.265694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.265694 (E_RNA) where: Base-Base interactions energy: -1077.593 where: short stacking energy: -472.816 Base-Backbone interact. energy: 1.395 local terms energy: -470.067270 where: bonds (distance) C4'-P energy: -97.023 bonds (distance) P-C4' energy: -80.980 flat angles C4'-P-C4' energy: -103.962 flat angles P-C4'-P energy: -56.686 tors. eta vs tors. theta energy: -131.417 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: 471 Temperature: 1.100000 Total energy: -1473.318656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.318656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.318656 (E_RNA) where: Base-Base interactions energy: -1006.837 where: short stacking energy: -434.448 Base-Backbone interact. energy: 0.348 local terms energy: -466.830428 where: bonds (distance) C4'-P energy: -83.405 bonds (distance) P-C4' energy: -90.638 flat angles C4'-P-C4' energy: -104.513 flat angles P-C4'-P energy: -59.989 tors. eta vs tors. theta energy: -128.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -1284.313113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.313113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.313113 (E_RNA) where: Base-Base interactions energy: -855.535 where: short stacking energy: -386.961 Base-Backbone interact. energy: -0.559 local terms energy: -428.219221 where: bonds (distance) C4'-P energy: -91.122 bonds (distance) P-C4' energy: -73.918 flat angles C4'-P-C4' energy: -97.486 flat angles P-C4'-P energy: -65.894 tors. eta vs tors. theta energy: -99.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1127.107882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.107882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.107882 (E_RNA) where: Base-Base interactions energy: -751.107 where: short stacking energy: -336.680 Base-Backbone interact. energy: -0.696 local terms energy: -375.304139 where: bonds (distance) C4'-P energy: -93.400 bonds (distance) P-C4' energy: -83.343 flat angles C4'-P-C4' energy: -76.591 flat angles P-C4'-P energy: -52.176 tors. eta vs tors. theta energy: -69.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -955.560078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.560078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.560078 (E_RNA) where: Base-Base interactions energy: -616.165 where: short stacking energy: -275.745 Base-Backbone interact. energy: -3.530 local terms energy: -335.864632 where: bonds (distance) C4'-P energy: -62.733 bonds (distance) P-C4' energy: -82.589 flat angles C4'-P-C4' energy: -79.418 flat angles P-C4'-P energy: -54.618 tors. eta vs tors. theta energy: -56.506 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: 9 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -732.309797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.309797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.309797 (E_RNA) where: Base-Base interactions energy: -438.117 where: short stacking energy: -212.536 Base-Backbone interact. energy: -2.369 local terms energy: -291.823860 where: bonds (distance) C4'-P energy: -87.433 bonds (distance) P-C4' energy: -78.033 flat angles C4'-P-C4' energy: -73.392 flat angles P-C4'-P energy: -28.428 tors. eta vs tors. theta energy: -24.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -513.056149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.056149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.056149 (E_RNA) where: Base-Base interactions energy: -231.580 where: short stacking energy: -130.215 Base-Backbone interact. energy: 1.491 local terms energy: -282.966906 where: bonds (distance) C4'-P energy: -78.752 bonds (distance) P-C4' energy: -92.562 flat angles C4'-P-C4' energy: -68.642 flat angles P-C4'-P energy: -48.224 tors. eta vs tors. theta energy: 5.213 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: 7 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1717.262235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.262235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.262235 (E_RNA) where: Base-Base interactions energy: -1193.359 where: short stacking energy: -492.226 Base-Backbone interact. energy: -2.581 local terms energy: -521.322784 where: bonds (distance) C4'-P energy: -91.296 bonds (distance) P-C4' energy: -99.162 flat angles C4'-P-C4' energy: -111.333 flat angles P-C4'-P energy: -76.594 tors. eta vs tors. theta energy: -142.939 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: 2, replica: 2 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1695.356379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.356379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.356379 (E_RNA) where: Base-Base interactions energy: -1185.846 where: short stacking energy: -491.425 Base-Backbone interact. energy: -4.003 local terms energy: -505.508115 where: bonds (distance) C4'-P energy: -85.049 bonds (distance) P-C4' energy: -100.220 flat angles C4'-P-C4' energy: -108.374 flat angles P-C4'-P energy: -67.957 tors. eta vs tors. theta energy: -143.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1638.087308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.087308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.087308 (E_RNA) where: Base-Base interactions energy: -1128.002 where: short stacking energy: -496.537 Base-Backbone interact. energy: 2.611 local terms energy: -512.696279 where: bonds (distance) C4'-P energy: -84.647 bonds (distance) P-C4' energy: -95.643 flat angles C4'-P-C4' energy: -110.152 flat angles P-C4'-P energy: -72.599 tors. eta vs tors. theta energy: -149.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -1575.189059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.189059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.189059 (E_RNA) where: Base-Base interactions energy: -1083.571 where: short stacking energy: -464.401 Base-Backbone interact. energy: -1.661 local terms energy: -489.956419 where: bonds (distance) C4'-P energy: -84.125 bonds (distance) P-C4' energy: -87.021 flat angles C4'-P-C4' energy: -104.457 flat angles P-C4'-P energy: -69.322 tors. eta vs tors. theta energy: -145.031 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: 10 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -1451.854275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.854275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.854275 (E_RNA) where: Base-Base interactions energy: -1003.817 where: short stacking energy: -430.489 Base-Backbone interact. energy: -0.419 local terms energy: -447.618123 where: bonds (distance) C4'-P energy: -86.037 bonds (distance) P-C4' energy: -79.394 flat angles C4'-P-C4' energy: -92.318 flat angles P-C4'-P energy: -68.039 tors. eta vs tors. theta energy: -121.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1313.457168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.457168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.457168 (E_RNA) where: Base-Base interactions energy: -877.709 where: short stacking energy: -408.581 Base-Backbone interact. energy: -0.290 local terms energy: -435.458279 where: bonds (distance) C4'-P energy: -74.483 bonds (distance) P-C4' energy: -85.698 flat angles C4'-P-C4' energy: -102.169 flat angles P-C4'-P energy: -70.441 tors. eta vs tors. theta energy: -102.667 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: 5 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1047.527273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.527273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.527273 (E_RNA) where: Base-Base interactions energy: -663.745 where: short stacking energy: -317.824 Base-Backbone interact. energy: -1.425 local terms energy: -382.357954 where: bonds (distance) C4'-P energy: -81.578 bonds (distance) P-C4' energy: -82.164 flat angles C4'-P-C4' energy: -99.418 flat angles P-C4'-P energy: -41.184 tors. eta vs tors. theta energy: -78.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -992.459052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.459052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.459052 (E_RNA) where: Base-Base interactions energy: -636.140 where: short stacking energy: -304.877 Base-Backbone interact. energy: -0.244 local terms energy: -356.074212 where: bonds (distance) C4'-P energy: -81.444 bonds (distance) P-C4' energy: -80.571 flat angles C4'-P-C4' energy: -74.618 flat angles P-C4'-P energy: -51.218 tors. eta vs tors. theta energy: -68.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -761.031780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.031780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.031780 (E_RNA) where: Base-Base interactions energy: -438.678 where: short stacking energy: -207.943 Base-Backbone interact. energy: 2.461 local terms energy: -324.815661 where: bonds (distance) C4'-P energy: -73.102 bonds (distance) P-C4' energy: -80.143 flat angles C4'-P-C4' energy: -88.998 flat angles P-C4'-P energy: -47.555 tors. eta vs tors. theta energy: -35.018 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: 3 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -536.408081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.408081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.408081 (E_RNA) where: Base-Base interactions energy: -262.609 where: short stacking energy: -158.671 Base-Backbone interact. energy: 4.542 local terms energy: -278.340918 where: bonds (distance) C4'-P energy: -68.254 bonds (distance) P-C4' energy: -94.664 flat angles C4'-P-C4' energy: -69.651 flat angles P-C4'-P energy: -35.492 tors. eta vs tors. theta energy: -10.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1746.580550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.580550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.580550 (E_RNA) where: Base-Base interactions energy: -1210.455 where: short stacking energy: -498.576 Base-Backbone interact. energy: -0.927 local terms energy: -535.198729 where: bonds (distance) C4'-P energy: -94.636 bonds (distance) P-C4' energy: -98.791 flat angles C4'-P-C4' energy: -115.924 flat angles P-C4'-P energy: -80.959 tors. eta vs tors. theta energy: -144.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -1691.047838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.047838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.047838 (E_RNA) where: Base-Base interactions energy: -1189.398 where: short stacking energy: -497.425 Base-Backbone interact. energy: -0.361 local terms energy: -501.288410 where: bonds (distance) C4'-P energy: -88.091 bonds (distance) P-C4' energy: -88.544 flat angles C4'-P-C4' energy: -114.523 flat angles P-C4'-P energy: -69.293 tors. eta vs tors. theta energy: -140.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1599.420370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.420370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.420370 (E_RNA) where: Base-Base interactions energy: -1068.995 where: short stacking energy: -494.009 Base-Backbone interact. energy: -0.825 local terms energy: -529.600107 where: bonds (distance) C4'-P energy: -96.786 bonds (distance) P-C4' energy: -88.112 flat angles C4'-P-C4' energy: -113.009 flat angles P-C4'-P energy: -77.147 tors. eta vs tors. theta energy: -154.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -1540.360811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.360811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.360811 (E_RNA) where: Base-Base interactions energy: -1044.530 where: short stacking energy: -469.106 Base-Backbone interact. energy: 5.555 local terms energy: -501.386253 where: bonds (distance) C4'-P energy: -95.263 bonds (distance) P-C4' energy: -92.580 flat angles C4'-P-C4' energy: -107.186 flat angles P-C4'-P energy: -72.340 tors. eta vs tors. theta energy: -134.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -1466.948988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.948988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.948988 (E_RNA) where: Base-Base interactions energy: -1021.312 where: short stacking energy: -445.117 Base-Backbone interact. energy: -1.155 local terms energy: -444.482008 where: bonds (distance) C4'-P energy: -67.559 bonds (distance) P-C4' energy: -79.685 flat angles C4'-P-C4' energy: -102.699 flat angles P-C4'-P energy: -66.576 tors. eta vs tors. theta energy: -127.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -1307.966843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.966843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.966843 (E_RNA) where: Base-Base interactions energy: -868.355 where: short stacking energy: -369.855 Base-Backbone interact. energy: -1.129 local terms energy: -438.482637 where: bonds (distance) C4'-P energy: -91.510 bonds (distance) P-C4' energy: -90.534 flat angles C4'-P-C4' energy: -91.397 flat angles P-C4'-P energy: -67.700 tors. eta vs tors. theta energy: -97.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1078.265586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.265586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.265586 (E_RNA) where: Base-Base interactions energy: -701.928 where: short stacking energy: -301.911 Base-Backbone interact. energy: 1.670 local terms energy: -378.007005 where: bonds (distance) C4'-P energy: -91.143 bonds (distance) P-C4' energy: -74.306 flat angles C4'-P-C4' energy: -91.348 flat angles P-C4'-P energy: -52.153 tors. eta vs tors. theta energy: -69.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1000.074564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.074564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.074564 (E_RNA) where: Base-Base interactions energy: -620.621 where: short stacking energy: -297.610 Base-Backbone interact. energy: 1.536 local terms energy: -380.989315 where: bonds (distance) C4'-P energy: -73.845 bonds (distance) P-C4' energy: -82.154 flat angles C4'-P-C4' energy: -99.400 flat angles P-C4'-P energy: -52.085 tors. eta vs tors. theta energy: -73.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -750.747259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.747259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.747259 (E_RNA) where: Base-Base interactions energy: -440.820 where: short stacking energy: -235.353 Base-Backbone interact. energy: 5.604 local terms energy: -315.530424 where: bonds (distance) C4'-P energy: -76.804 bonds (distance) P-C4' energy: -68.928 flat angles C4'-P-C4' energy: -77.591 flat angles P-C4'-P energy: -50.856 tors. eta vs tors. theta energy: -41.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -539.582013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.582013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.582013 (E_RNA) where: Base-Base interactions energy: -275.123 where: short stacking energy: -162.689 Base-Backbone interact. energy: 4.446 local terms energy: -268.905240 where: bonds (distance) C4'-P energy: -70.763 bonds (distance) P-C4' energy: -88.696 flat angles C4'-P-C4' energy: -73.959 flat angles P-C4'-P energy: -33.079 tors. eta vs tors. theta energy: -2.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1721.813898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.813898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.813898 (E_RNA) where: Base-Base interactions energy: -1189.455 where: short stacking energy: -499.174 Base-Backbone interact. energy: -1.615 local terms energy: -530.743518 where: bonds (distance) C4'-P energy: -95.291 bonds (distance) P-C4' energy: -107.148 flat angles C4'-P-C4' energy: -108.932 flat angles P-C4'-P energy: -73.371 tors. eta vs tors. theta energy: -146.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -1684.468513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.468513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.468513 (E_RNA) where: Base-Base interactions energy: -1187.796 where: short stacking energy: -504.087 Base-Backbone interact. energy: -1.549 local terms energy: -495.123206 where: bonds (distance) C4'-P energy: -93.089 bonds (distance) P-C4' energy: -82.668 flat angles C4'-P-C4' energy: -117.008 flat angles P-C4'-P energy: -64.660 tors. eta vs tors. theta energy: -137.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1608.041239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.041239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.041239 (E_RNA) where: Base-Base interactions energy: -1092.915 where: short stacking energy: -503.305 Base-Backbone interact. energy: 1.925 local terms energy: -517.051334 where: bonds (distance) C4'-P energy: -84.126 bonds (distance) P-C4' energy: -106.389 flat angles C4'-P-C4' energy: -110.686 flat angles P-C4'-P energy: -66.513 tors. eta vs tors. theta energy: -149.338 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: 8 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -1545.855195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.855195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.855195 (E_RNA) where: Base-Base interactions energy: -1058.180 where: short stacking energy: -462.494 Base-Backbone interact. energy: -1.395 local terms energy: -486.280573 where: bonds (distance) C4'-P energy: -75.439 bonds (distance) P-C4' energy: -91.080 flat angles C4'-P-C4' energy: -111.405 flat angles P-C4'-P energy: -74.548 tors. eta vs tors. theta energy: -133.808 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: 474 Temperature: 1.100000 Total energy: -1517.192743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.192743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.192743 (E_RNA) where: Base-Base interactions energy: -1060.765 where: short stacking energy: -449.943 Base-Backbone interact. energy: 0.757 local terms energy: -457.184907 where: bonds (distance) C4'-P energy: -96.037 bonds (distance) P-C4' energy: -80.516 flat angles C4'-P-C4' energy: -92.414 flat angles P-C4'-P energy: -50.900 tors. eta vs tors. theta energy: -137.319 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: 6, replica: 4 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -1358.065090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.065090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.065090 (E_RNA) where: Base-Base interactions energy: -935.322 where: short stacking energy: -413.174 Base-Backbone interact. energy: -2.902 local terms energy: -419.841651 where: bonds (distance) C4'-P energy: -82.440 bonds (distance) P-C4' energy: -83.741 flat angles C4'-P-C4' energy: -102.480 flat angles P-C4'-P energy: -40.361 tors. eta vs tors. theta energy: -110.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -1131.760261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.760261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.760261 (E_RNA) where: Base-Base interactions energy: -747.576 where: short stacking energy: -327.441 Base-Backbone interact. energy: -1.876 local terms energy: -382.308087 where: bonds (distance) C4'-P energy: -80.355 bonds (distance) P-C4' energy: -87.291 flat angles C4'-P-C4' energy: -84.946 flat angles P-C4'-P energy: -61.891 tors. eta vs tors. theta energy: -67.824 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: 1 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -963.960787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.960787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.960787 (E_RNA) where: Base-Base interactions energy: -624.299 where: short stacking energy: -308.308 Base-Backbone interact. energy: -1.168 local terms energy: -338.493397 where: bonds (distance) C4'-P energy: -73.842 bonds (distance) P-C4' energy: -72.050 flat angles C4'-P-C4' energy: -86.958 flat angles P-C4'-P energy: -46.400 tors. eta vs tors. theta energy: -59.243 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: 9 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -717.614338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.614338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.614338 (E_RNA) where: Base-Base interactions energy: -413.286 where: short stacking energy: -211.758 Base-Backbone interact. energy: 2.161 local terms energy: -306.489164 where: bonds (distance) C4'-P energy: -89.034 bonds (distance) P-C4' energy: -81.818 flat angles C4'-P-C4' energy: -79.036 flat angles P-C4'-P energy: -44.914 tors. eta vs tors. theta energy: -11.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -572.182634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.182634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.182634 (E_RNA) where: Base-Base interactions energy: -295.676 where: short stacking energy: -153.944 Base-Backbone interact. energy: 2.265 local terms energy: -278.771947 where: bonds (distance) C4'-P energy: -68.649 bonds (distance) P-C4' energy: -80.019 flat angles C4'-P-C4' energy: -81.204 flat angles P-C4'-P energy: -39.963 tors. eta vs tors. theta energy: -8.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1738.293109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.293109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.293109 (E_RNA) where: Base-Base interactions energy: -1195.529 where: short stacking energy: -496.825 Base-Backbone interact. energy: -4.057 local terms energy: -538.707090 where: bonds (distance) C4'-P energy: -97.181 bonds (distance) P-C4' energy: -96.454 flat angles C4'-P-C4' energy: -118.296 flat angles P-C4'-P energy: -73.481 tors. eta vs tors. theta energy: -153.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -1703.443044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.443044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.443044 (E_RNA) where: Base-Base interactions energy: -1193.891 where: short stacking energy: -494.382 Base-Backbone interact. energy: -1.584 local terms energy: -507.968863 where: bonds (distance) C4'-P energy: -100.451 bonds (distance) P-C4' energy: -79.435 flat angles C4'-P-C4' energy: -111.397 flat angles P-C4'-P energy: -73.796 tors. eta vs tors. theta energy: -142.890 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: 6 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -1601.519008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.519008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.519008 (E_RNA) where: Base-Base interactions energy: -1105.625 where: short stacking energy: -486.511 Base-Backbone interact. energy: -1.457 local terms energy: -494.437142 where: bonds (distance) C4'-P energy: -82.051 bonds (distance) P-C4' energy: -79.255 flat angles C4'-P-C4' energy: -105.826 flat angles P-C4'-P energy: -76.679 tors. eta vs tors. theta energy: -150.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -1549.495685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.495685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.495685 (E_RNA) where: Base-Base interactions energy: -1074.227 where: short stacking energy: -468.577 Base-Backbone interact. energy: -0.826 local terms energy: -474.443273 where: bonds (distance) C4'-P energy: -90.526 bonds (distance) P-C4' energy: -88.804 flat angles C4'-P-C4' energy: -97.233 flat angles P-C4'-P energy: -56.345 tors. eta vs tors. theta energy: -141.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -1525.038511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.038511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.038511 (E_RNA) where: Base-Base interactions energy: -1057.515 where: short stacking energy: -418.223 Base-Backbone interact. energy: -1.574 local terms energy: -465.949368 where: bonds (distance) C4'-P energy: -84.713 bonds (distance) P-C4' energy: -90.645 flat angles C4'-P-C4' energy: -100.008 flat angles P-C4'-P energy: -71.362 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: 4 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -1336.265164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.265164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.265164 (E_RNA) where: Base-Base interactions energy: -922.503 where: short stacking energy: -366.478 Base-Backbone interact. energy: -0.887 local terms energy: -412.875047 where: bonds (distance) C4'-P energy: -85.798 bonds (distance) P-C4' energy: -86.749 flat angles C4'-P-C4' energy: -80.292 flat angles P-C4'-P energy: -60.399 tors. eta vs tors. theta energy: -99.638 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: 5 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -1096.560371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.560371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.560371 (E_RNA) where: Base-Base interactions energy: -723.711 where: short stacking energy: -339.770 Base-Backbone interact. energy: 4.848 local terms energy: -377.696934 where: bonds (distance) C4'-P energy: -71.222 bonds (distance) P-C4' energy: -88.564 flat angles C4'-P-C4' energy: -98.790 flat angles P-C4'-P energy: -55.745 tors. eta vs tors. theta energy: -63.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -965.545642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.545642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.545642 (E_RNA) where: Base-Base interactions energy: -631.473 where: short stacking energy: -299.249 Base-Backbone interact. energy: -0.382 local terms energy: -333.690944 where: bonds (distance) C4'-P energy: -72.383 bonds (distance) P-C4' energy: -82.016 flat angles C4'-P-C4' energy: -71.109 flat angles P-C4'-P energy: -52.723 tors. eta vs tors. theta energy: -55.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -746.055821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.055821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.055821 (E_RNA) where: Base-Base interactions energy: -449.588 where: short stacking energy: -214.292 Base-Backbone interact. energy: -0.161 local terms energy: -296.306435 where: bonds (distance) C4'-P energy: -69.063 bonds (distance) P-C4' energy: -74.741 flat angles C4'-P-C4' energy: -65.871 flat angles P-C4'-P energy: -56.640 tors. eta vs tors. theta energy: -29.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -521.610416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.610416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.610416 (E_RNA) where: Base-Base interactions energy: -264.256 where: short stacking energy: -157.908 Base-Backbone interact. energy: -0.205 local terms energy: -257.149757 where: bonds (distance) C4'-P energy: -79.810 bonds (distance) P-C4' energy: -57.981 flat angles C4'-P-C4' energy: -70.486 flat angles P-C4'-P energy: -38.637 tors. eta vs tors. theta energy: -10.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -1715.536272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.536272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.536272 (E_RNA) where: Base-Base interactions energy: -1194.362 where: short stacking energy: -511.109 Base-Backbone interact. energy: -2.500 local terms energy: -518.675111 where: bonds (distance) C4'-P energy: -88.259 bonds (distance) P-C4' energy: -91.835 flat angles C4'-P-C4' energy: -116.023 flat angles P-C4'-P energy: -75.816 tors. eta vs tors. theta energy: -146.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -1687.886882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.886882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.886882 (E_RNA) where: Base-Base interactions energy: -1200.874 where: short stacking energy: -487.546 Base-Backbone interact. energy: 0.806 local terms energy: -487.818972 where: bonds (distance) C4'-P energy: -87.509 bonds (distance) P-C4' energy: -83.126 flat angles C4'-P-C4' energy: -103.360 flat angles P-C4'-P energy: -74.748 tors. eta vs tors. theta energy: -139.077 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: 6 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -1637.742586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.742586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.742586 (E_RNA) where: Base-Base interactions energy: -1097.627 where: short stacking energy: -496.323 Base-Backbone interact. energy: -0.074 local terms energy: -540.040992 where: bonds (distance) C4'-P energy: -101.006 bonds (distance) P-C4' energy: -105.119 flat angles C4'-P-C4' energy: -112.591 flat angles P-C4'-P energy: -73.127 tors. eta vs tors. theta energy: -148.198 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: 8 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -1530.078433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.078433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.078433 (E_RNA) where: Base-Base interactions energy: -1053.746 where: short stacking energy: -461.716 Base-Backbone interact. energy: -3.508 local terms energy: -472.825136 where: bonds (distance) C4'-P energy: -83.798 bonds (distance) P-C4' energy: -99.290 flat angles C4'-P-C4' energy: -98.129 flat angles P-C4'-P energy: -51.562 tors. eta vs tors. theta energy: -140.047 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: 10 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -1474.166407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.166407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.166407 (E_RNA) where: Base-Base interactions energy: -1046.558 where: short stacking energy: -399.928 Base-Backbone interact. energy: -3.184 local terms energy: -424.424341 where: bonds (distance) C4'-P energy: -76.633 bonds (distance) P-C4' energy: -93.570 flat angles C4'-P-C4' energy: -92.124 flat angles P-C4'-P energy: -57.475 tors. eta vs tors. theta energy: -104.621 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: 6, replica: 4 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -1363.125055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.125055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.125055 (E_RNA) where: Base-Base interactions energy: -927.925 where: short stacking energy: -379.700 Base-Backbone interact. energy: -0.440 local terms energy: -434.760069 where: bonds (distance) C4'-P energy: -84.751 bonds (distance) P-C4' energy: -76.378 flat angles C4'-P-C4' energy: -100.242 flat angles P-C4'-P energy: -58.283 tors. eta vs tors. theta energy: -115.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -1074.120221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.120221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.120221 (E_RNA) where: Base-Base interactions energy: -717.993 where: short stacking energy: -336.538 Base-Backbone interact. energy: 0.115 local terms energy: -356.241775 where: bonds (distance) C4'-P energy: -67.242 bonds (distance) P-C4' energy: -69.943 flat angles C4'-P-C4' energy: -89.642 flat angles P-C4'-P energy: -49.333 tors. eta vs tors. theta energy: -80.082 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: 476 Temperature: 1.250000 Total energy: -932.175446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.175446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.175446 (E_RNA) where: Base-Base interactions energy: -571.175 where: short stacking energy: -276.664 Base-Backbone interact. energy: -2.364 local terms energy: -358.636695 where: bonds (distance) C4'-P energy: -75.095 bonds (distance) P-C4' energy: -94.086 flat angles C4'-P-C4' energy: -71.591 flat angles P-C4'-P energy: -59.699 tors. eta vs tors. theta energy: -58.166 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: 3 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -621.111167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.111167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.111167 (E_RNA) where: Base-Base interactions energy: -329.821 where: short stacking energy: -188.355 Base-Backbone interact. energy: 1.756 local terms energy: -293.046641 where: bonds (distance) C4'-P energy: -71.185 bonds (distance) P-C4' energy: -81.227 flat angles C4'-P-C4' energy: -63.208 flat angles P-C4'-P energy: -46.757 tors. eta vs tors. theta energy: -30.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -713.031013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.031013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.031013 (E_RNA) where: Base-Base interactions energy: -433.731 where: short stacking energy: -227.692 Base-Backbone interact. energy: -1.004 local terms energy: -278.295989 where: bonds (distance) C4'-P energy: -59.796 bonds (distance) P-C4' energy: -78.061 flat angles C4'-P-C4' energy: -76.909 flat angles P-C4'-P energy: -28.840 tors. eta vs tors. theta energy: -34.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -1735.116092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.116092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.116092 (E_RNA) where: Base-Base interactions energy: -1207.066 where: short stacking energy: -504.222 Base-Backbone interact. energy: -3.471 local terms energy: -524.579186 where: bonds (distance) C4'-P energy: -101.013 bonds (distance) P-C4' energy: -94.611 flat angles C4'-P-C4' energy: -113.802 flat angles P-C4'-P energy: -64.518 tors. eta vs tors. theta energy: -150.635 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: 477 Temperature: 0.950000 Total energy: -1677.579941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.579941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.579941 (E_RNA) where: Base-Base interactions energy: -1191.819 where: short stacking energy: -483.792 Base-Backbone interact. energy: -0.368 local terms energy: -485.392916 where: bonds (distance) C4'-P energy: -89.884 bonds (distance) P-C4' energy: -84.723 flat angles C4'-P-C4' energy: -110.546 flat angles P-C4'-P energy: -65.883 tors. eta vs tors. theta energy: -134.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -1624.940182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.940182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.940182 (E_RNA) where: Base-Base interactions energy: -1116.898 where: short stacking energy: -492.310 Base-Backbone interact. energy: -0.235 local terms energy: -507.807618 where: bonds (distance) C4'-P energy: -85.736 bonds (distance) P-C4' energy: -92.421 flat angles C4'-P-C4' energy: -108.527 flat angles P-C4'-P energy: -69.710 tors. eta vs tors. theta energy: -151.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -1602.168012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.168012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.168012 (E_RNA) where: Base-Base interactions energy: -1105.916 where: short stacking energy: -475.971 Base-Backbone interact. energy: -0.462 local terms energy: -495.790720 where: bonds (distance) C4'-P energy: -90.854 bonds (distance) P-C4' energy: -87.737 flat angles C4'-P-C4' energy: -103.496 flat angles P-C4'-P energy: -71.503 tors. eta vs tors. theta energy: -142.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -1484.069623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.069623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.069623 (E_RNA) where: Base-Base interactions energy: -1041.687 where: short stacking energy: -441.005 Base-Backbone interact. energy: 6.563 local terms energy: -448.945465 where: bonds (distance) C4'-P energy: -90.953 bonds (distance) P-C4' energy: -86.518 flat angles C4'-P-C4' energy: -84.674 flat angles P-C4'-P energy: -64.125 tors. eta vs tors. theta energy: -122.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -1377.388813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.388813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.388813 (E_RNA) where: Base-Base interactions energy: -926.341 where: short stacking energy: -374.433 Base-Backbone interact. energy: 0.270 local terms energy: -451.318407 where: bonds (distance) C4'-P energy: -92.181 bonds (distance) P-C4' energy: -96.687 flat angles C4'-P-C4' energy: -99.774 flat angles P-C4'-P energy: -56.158 tors. eta vs tors. theta energy: -106.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -1173.695058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.695058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.695058 (E_RNA) where: Base-Base interactions energy: -773.124 where: short stacking energy: -347.953 Base-Backbone interact. energy: -1.847 local terms energy: -398.724496 where: bonds (distance) C4'-P energy: -89.067 bonds (distance) P-C4' energy: -94.843 flat angles C4'-P-C4' energy: -90.650 flat angles P-C4'-P energy: -38.759 tors. eta vs tors. theta energy: -85.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -909.451438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.451438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.451438 (E_RNA) where: Base-Base interactions energy: -559.802 where: short stacking energy: -252.031 Base-Backbone interact. energy: 2.699 local terms energy: -352.348023 where: bonds (distance) C4'-P energy: -77.725 bonds (distance) P-C4' energy: -79.117 flat angles C4'-P-C4' energy: -87.825 flat angles P-C4'-P energy: -56.275 tors. eta vs tors. theta energy: -51.406 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: 3 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -655.300621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.300621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.300621 (E_RNA) where: Base-Base interactions energy: -341.099 where: short stacking energy: -198.415 Base-Backbone interact. energy: 2.084 local terms energy: -316.285410 where: bonds (distance) C4'-P energy: -93.473 bonds (distance) P-C4' energy: -73.354 flat angles C4'-P-C4' energy: -73.328 flat angles P-C4'-P energy: -47.712 tors. eta vs tors. theta energy: -28.418 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: 9 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -675.992691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.992691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.992691 (E_RNA) where: Base-Base interactions energy: -400.189 where: short stacking energy: -183.036 Base-Backbone interact. energy: -1.255 local terms energy: -274.548724 where: bonds (distance) C4'-P energy: -75.244 bonds (distance) P-C4' energy: -86.018 flat angles C4'-P-C4' energy: -75.215 flat angles P-C4'-P energy: -29.063 tors. eta vs tors. theta energy: -9.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -1723.608426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.608426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.608426 (E_RNA) where: Base-Base interactions energy: -1224.500 where: short stacking energy: -514.205 Base-Backbone interact. energy: 1.357 local terms energy: -500.465372 where: bonds (distance) C4'-P energy: -94.201 bonds (distance) P-C4' energy: -91.299 flat angles C4'-P-C4' energy: -102.256 flat angles P-C4'-P energy: -79.371 tors. eta vs tors. theta energy: -133.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -1679.972267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.972267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.972267 (E_RNA) where: Base-Base interactions energy: -1176.878 where: short stacking energy: -469.980 Base-Backbone interact. energy: -2.493 local terms energy: -500.602017 where: bonds (distance) C4'-P energy: -96.696 bonds (distance) P-C4' energy: -93.887 flat angles C4'-P-C4' energy: -102.214 flat angles P-C4'-P energy: -67.753 tors. eta vs tors. theta energy: -140.053 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: 6 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -1611.439884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.439884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.439884 (E_RNA) where: Base-Base interactions energy: -1114.676 where: short stacking energy: -491.988 Base-Backbone interact. energy: -1.210 local terms energy: -495.554194 where: bonds (distance) C4'-P energy: -86.102 bonds (distance) P-C4' energy: -94.939 flat angles C4'-P-C4' energy: -107.570 flat angles P-C4'-P energy: -62.618 tors. eta vs tors. theta energy: -144.325 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: 8 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -1574.512164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.512164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.512164 (E_RNA) where: Base-Base interactions energy: -1087.782 where: short stacking energy: -466.949 Base-Backbone interact. energy: -0.798 local terms energy: -485.932990 where: bonds (distance) C4'-P energy: -82.117 bonds (distance) P-C4' energy: -92.138 flat angles C4'-P-C4' energy: -97.388 flat angles P-C4'-P energy: -73.844 tors. eta vs tors. theta energy: -140.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -1461.479704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.479704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.479704 (E_RNA) where: Base-Base interactions energy: -1012.717 where: short stacking energy: -406.313 Base-Backbone interact. energy: -2.667 local terms energy: -446.096473 where: bonds (distance) C4'-P energy: -71.364 bonds (distance) P-C4' energy: -93.562 flat angles C4'-P-C4' energy: -100.790 flat angles P-C4'-P energy: -63.961 tors. eta vs tors. theta energy: -116.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -1357.487542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.487542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.487542 (E_RNA) where: Base-Base interactions energy: -909.664 where: short stacking energy: -398.374 Base-Backbone interact. energy: 1.808 local terms energy: -449.631621 where: bonds (distance) C4'-P energy: -82.503 bonds (distance) P-C4' energy: -83.056 flat angles C4'-P-C4' energy: -98.547 flat angles P-C4'-P energy: -74.340 tors. eta vs tors. theta energy: -111.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -1127.665813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.665813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.665813 (E_RNA) where: Base-Base interactions energy: -733.594 where: short stacking energy: -318.522 Base-Backbone interact. energy: 0.437 local terms energy: -394.508914 where: bonds (distance) C4'-P energy: -85.921 bonds (distance) P-C4' energy: -89.286 flat angles C4'-P-C4' energy: -89.476 flat angles P-C4'-P energy: -58.377 tors. eta vs tors. theta energy: -71.449 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: 478 Temperature: 1.250000 Total energy: -906.256359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.256359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.256359 (E_RNA) where: Base-Base interactions energy: -581.323 where: short stacking energy: -268.806 Base-Backbone interact. energy: -1.258 local terms energy: -323.676166 where: bonds (distance) C4'-P energy: -81.884 bonds (distance) P-C4' energy: -82.206 flat angles C4'-P-C4' energy: -65.163 flat angles P-C4'-P energy: -42.868 tors. eta vs tors. theta energy: -51.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -718.228577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.228577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.228577 (E_RNA) where: Base-Base interactions energy: -420.280 where: short stacking energy: -212.592 Base-Backbone interact. energy: -2.131 local terms energy: -295.817544 where: bonds (distance) C4'-P energy: -81.338 bonds (distance) P-C4' energy: -79.547 flat angles C4'-P-C4' energy: -76.396 flat angles P-C4'-P energy: -34.570 tors. eta vs tors. theta energy: -23.966 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: 3 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -568.288186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.288186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.288186 (E_RNA) where: Base-Base interactions energy: -291.814 where: short stacking energy: -160.413 Base-Backbone interact. energy: -0.707 local terms energy: -275.767402 where: bonds (distance) C4'-P energy: -72.497 bonds (distance) P-C4' energy: -89.717 flat angles C4'-P-C4' energy: -62.715 flat angles P-C4'-P energy: -43.883 tors. eta vs tors. theta energy: -6.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -1725.902519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.902519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.902519 (E_RNA) where: Base-Base interactions energy: -1195.217 where: short stacking energy: -488.132 Base-Backbone interact. energy: -2.846 local terms energy: -527.839641 where: bonds (distance) C4'-P energy: -95.450 bonds (distance) P-C4' energy: -108.075 flat angles C4'-P-C4' energy: -110.296 flat angles P-C4'-P energy: -76.693 tors. eta vs tors. theta energy: -137.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -1693.470129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.470129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.470129 (E_RNA) where: Base-Base interactions energy: -1173.289 where: short stacking energy: -496.432 Base-Backbone interact. energy: -1.251 local terms energy: -518.929601 where: bonds (distance) C4'-P energy: -85.092 bonds (distance) P-C4' energy: -101.852 flat angles C4'-P-C4' energy: -113.947 flat angles P-C4'-P energy: -72.372 tors. eta vs tors. theta energy: -145.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -1625.478176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.478176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.478176 (E_RNA) where: Base-Base interactions energy: -1130.680 where: short stacking energy: -493.342 Base-Backbone interact. energy: -1.694 local terms energy: -493.103962 where: bonds (distance) C4'-P energy: -76.318 bonds (distance) P-C4' energy: -91.423 flat angles C4'-P-C4' energy: -111.854 flat angles P-C4'-P energy: -69.723 tors. eta vs tors. theta energy: -143.785 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: 8 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -1567.049787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.049787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.049787 (E_RNA) where: Base-Base interactions energy: -1076.973 where: short stacking energy: -461.051 Base-Backbone interact. energy: -0.888 local terms energy: -489.189455 where: bonds (distance) C4'-P energy: -94.586 bonds (distance) P-C4' energy: -92.883 flat angles C4'-P-C4' energy: -98.501 flat angles P-C4'-P energy: -74.740 tors. eta vs tors. theta energy: -128.480 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: 10 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -1484.925514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.925514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.925514 (E_RNA) where: Base-Base interactions energy: -1025.676 where: short stacking energy: -398.342 Base-Backbone interact. energy: -0.217 local terms energy: -459.032756 where: bonds (distance) C4'-P energy: -97.370 bonds (distance) P-C4' energy: -84.643 flat angles C4'-P-C4' energy: -101.232 flat angles P-C4'-P energy: -50.544 tors. eta vs tors. theta energy: -125.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -1352.656720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.656720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.656720 (E_RNA) where: Base-Base interactions energy: -929.646 where: short stacking energy: -393.285 Base-Backbone interact. energy: 4.031 local terms energy: -427.041595 where: bonds (distance) C4'-P energy: -78.028 bonds (distance) P-C4' energy: -79.959 flat angles C4'-P-C4' energy: -96.668 flat angles P-C4'-P energy: -63.067 tors. eta vs tors. theta energy: -109.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -1084.179918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.179918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.179918 (E_RNA) where: Base-Base interactions energy: -721.102 where: short stacking energy: -330.552 Base-Backbone interact. energy: 2.710 local terms energy: -365.787540 where: bonds (distance) C4'-P energy: -81.140 bonds (distance) P-C4' energy: -87.544 flat angles C4'-P-C4' energy: -79.143 flat angles P-C4'-P energy: -40.609 tors. eta vs tors. theta energy: -77.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -891.452449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.452449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.452449 (E_RNA) where: Base-Base interactions energy: -560.918 where: short stacking energy: -268.411 Base-Backbone interact. energy: -0.444 local terms energy: -330.090501 where: bonds (distance) C4'-P energy: -76.043 bonds (distance) P-C4' energy: -82.524 flat angles C4'-P-C4' energy: -89.610 flat angles P-C4'-P energy: -37.469 tors. eta vs tors. theta energy: -44.444 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: 9 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -784.522157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.522157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.522157 (E_RNA) where: Base-Base interactions energy: -450.249 where: short stacking energy: -219.654 Base-Backbone interact. energy: 1.288 local terms energy: -335.561692 where: bonds (distance) C4'-P energy: -78.701 bonds (distance) P-C4' energy: -71.789 flat angles C4'-P-C4' energy: -89.964 flat angles P-C4'-P energy: -49.239 tors. eta vs tors. theta energy: -45.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -565.000905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.000905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.000905 (E_RNA) where: Base-Base interactions energy: -314.239 where: short stacking energy: -174.615 Base-Backbone interact. energy: -2.231 local terms energy: -248.530613 where: bonds (distance) C4'-P energy: -77.875 bonds (distance) P-C4' energy: -73.447 flat angles C4'-P-C4' energy: -71.461 flat angles P-C4'-P energy: -26.882 tors. eta vs tors. theta energy: 1.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -1735.380955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.380955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.380955 (E_RNA) where: Base-Base interactions energy: -1230.240 where: short stacking energy: -496.035 Base-Backbone interact. energy: -3.761 local terms energy: -501.379934 where: bonds (distance) C4'-P energy: -89.393 bonds (distance) P-C4' energy: -92.170 flat angles C4'-P-C4' energy: -108.620 flat angles P-C4'-P energy: -76.079 tors. eta vs tors. theta energy: -135.117 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: 7 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -1682.225092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.225092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.225092 (E_RNA) where: Base-Base interactions energy: -1179.081 where: short stacking energy: -484.727 Base-Backbone interact. energy: -2.925 local terms energy: -500.219715 where: bonds (distance) C4'-P energy: -86.333 bonds (distance) P-C4' energy: -91.738 flat angles C4'-P-C4' energy: -106.505 flat angles P-C4'-P energy: -67.340 tors. eta vs tors. theta energy: -148.303 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: 6 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -1604.456914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.456914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.456914 (E_RNA) where: Base-Base interactions energy: -1082.077 where: short stacking energy: -490.941 Base-Backbone interact. energy: -0.112 local terms energy: -522.267606 where: bonds (distance) C4'-P energy: -93.561 bonds (distance) P-C4' energy: -102.755 flat angles C4'-P-C4' energy: -111.914 flat angles P-C4'-P energy: -65.449 tors. eta vs tors. theta energy: -148.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -1558.921895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.921895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.921895 (E_RNA) where: Base-Base interactions energy: -1070.192 where: short stacking energy: -462.192 Base-Backbone interact. energy: 1.483 local terms energy: -490.212107 where: bonds (distance) C4'-P energy: -91.519 bonds (distance) P-C4' energy: -99.007 flat angles C4'-P-C4' energy: -96.520 flat angles P-C4'-P energy: -61.865 tors. eta vs tors. theta energy: -141.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -1482.827763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.827763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.827763 (E_RNA) where: Base-Base interactions energy: -1042.585 where: short stacking energy: -412.535 Base-Backbone interact. energy: -1.891 local terms energy: -438.351215 where: bonds (distance) C4'-P energy: -93.483 bonds (distance) P-C4' energy: -80.655 flat angles C4'-P-C4' energy: -94.457 flat angles P-C4'-P energy: -62.790 tors. eta vs tors. theta energy: -106.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -1351.405193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.405193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.405193 (E_RNA) where: Base-Base interactions energy: -917.257 where: short stacking energy: -389.003 Base-Backbone interact. energy: -1.129 local terms energy: -433.018840 where: bonds (distance) C4'-P energy: -103.792 bonds (distance) P-C4' energy: -86.582 flat angles C4'-P-C4' energy: -83.425 flat angles P-C4'-P energy: -61.821 tors. eta vs tors. theta energy: -97.399 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: 5 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -1135.207767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.207767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.207767 (E_RNA) where: Base-Base interactions energy: -767.936 where: short stacking energy: -323.324 Base-Backbone interact. energy: -0.830 local terms energy: -366.441855 where: bonds (distance) C4'-P energy: -78.054 bonds (distance) P-C4' energy: -81.490 flat angles C4'-P-C4' energy: -97.913 flat angles P-C4'-P energy: -40.847 tors. eta vs tors. theta energy: -68.138 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: 8, replica: 1 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -938.371308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.371308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.371308 (E_RNA) where: Base-Base interactions energy: -578.672 where: short stacking energy: -276.489 Base-Backbone interact. energy: -0.729 local terms energy: -358.970857 where: bonds (distance) C4'-P energy: -78.683 bonds (distance) P-C4' energy: -83.129 flat angles C4'-P-C4' energy: -85.817 flat angles P-C4'-P energy: -54.791 tors. eta vs tors. theta energy: -56.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -760.722679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.722679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.722679 (E_RNA) where: Base-Base interactions energy: -469.948 where: short stacking energy: -203.212 Base-Backbone interact. energy: 3.011 local terms energy: -293.786234 where: bonds (distance) C4'-P energy: -75.549 bonds (distance) P-C4' energy: -86.493 flat angles C4'-P-C4' energy: -69.056 flat angles P-C4'-P energy: -45.004 tors. eta vs tors. theta energy: -17.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -571.385095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.385095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.385095 (E_RNA) where: Base-Base interactions energy: -285.748 where: short stacking energy: -139.817 Base-Backbone interact. energy: 6.563 local terms energy: -292.200407 where: bonds (distance) C4'-P energy: -78.859 bonds (distance) P-C4' energy: -85.840 flat angles C4'-P-C4' energy: -77.611 flat angles P-C4'-P energy: -38.701 tors. eta vs tors. theta energy: -11.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -1742.527648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.527648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.527648 (E_RNA) where: Base-Base interactions energy: -1230.191 where: short stacking energy: -496.543 Base-Backbone interact. energy: -2.746 local terms energy: -509.591011 where: bonds (distance) C4'-P energy: -92.125 bonds (distance) P-C4' energy: -101.609 flat angles C4'-P-C4' energy: -106.894 flat angles P-C4'-P energy: -76.991 tors. eta vs tors. theta energy: -131.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -1672.009716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.009716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.009716 (E_RNA) where: Base-Base interactions energy: -1152.991 where: short stacking energy: -472.718 Base-Backbone interact. energy: 0.515 local terms energy: -519.534451 where: bonds (distance) C4'-P energy: -98.105 bonds (distance) P-C4' energy: -95.029 flat angles C4'-P-C4' energy: -105.595 flat angles P-C4'-P energy: -73.881 tors. eta vs tors. theta energy: -146.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -1604.350295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.350295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.350295 (E_RNA) where: Base-Base interactions energy: -1087.962 where: short stacking energy: -478.471 Base-Backbone interact. energy: -1.746 local terms energy: -514.642685 where: bonds (distance) C4'-P energy: -95.780 bonds (distance) P-C4' energy: -88.407 flat angles C4'-P-C4' energy: -104.995 flat angles P-C4'-P energy: -76.107 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: 4, replica: 10 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -1558.900629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.900629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.900629 (E_RNA) where: Base-Base interactions energy: -1066.582 where: short stacking energy: -450.020 Base-Backbone interact. energy: -2.595 local terms energy: -489.723823 where: bonds (distance) C4'-P energy: -100.225 bonds (distance) P-C4' energy: -87.560 flat angles C4'-P-C4' energy: -105.746 flat angles P-C4'-P energy: -68.864 tors. eta vs tors. theta energy: -127.329 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: 8 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -1545.057795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.057795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.057795 (E_RNA) where: Base-Base interactions energy: -1075.746 where: short stacking energy: -440.447 Base-Backbone interact. energy: -3.268 local terms energy: -466.044103 where: bonds (distance) C4'-P energy: -82.876 bonds (distance) P-C4' energy: -98.613 flat angles C4'-P-C4' energy: -101.179 flat angles P-C4'-P energy: -57.335 tors. eta vs tors. theta energy: -126.041 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: 4 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -1329.906425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.906425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.906425 (E_RNA) where: Base-Base interactions energy: -902.613 where: short stacking energy: -388.859 Base-Backbone interact. energy: 1.292 local terms energy: -428.585154 where: bonds (distance) C4'-P energy: -62.107 bonds (distance) P-C4' energy: -88.314 flat angles C4'-P-C4' energy: -97.439 flat angles P-C4'-P energy: -68.872 tors. eta vs tors. theta energy: -111.853 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: 481 Temperature: 1.200000 Total energy: -1151.016412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.016412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.016412 (E_RNA) where: Base-Base interactions energy: -749.256 where: short stacking energy: -322.343 Base-Backbone interact. energy: -2.519 local terms energy: -399.241198 where: bonds (distance) C4'-P energy: -73.897 bonds (distance) P-C4' energy: -83.885 flat angles C4'-P-C4' energy: -92.797 flat angles P-C4'-P energy: -60.848 tors. eta vs tors. theta energy: -87.814 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: 481 Temperature: 1.250000 Total energy: -929.606975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.606975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.606975 (E_RNA) where: Base-Base interactions energy: -578.716 where: short stacking energy: -272.925 Base-Backbone interact. energy: -4.333 local terms energy: -346.558504 where: bonds (distance) C4'-P energy: -68.089 bonds (distance) P-C4' energy: -92.212 flat angles C4'-P-C4' energy: -80.905 flat angles P-C4'-P energy: -53.123 tors. eta vs tors. theta energy: -52.230 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: 9, replica: 9 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -724.848259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.848259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.848259 (E_RNA) where: Base-Base interactions energy: -439.719 where: short stacking energy: -180.448 Base-Backbone interact. energy: 7.440 local terms energy: -292.569709 where: bonds (distance) C4'-P energy: -81.162 bonds (distance) P-C4' energy: -85.028 flat angles C4'-P-C4' energy: -68.745 flat angles P-C4'-P energy: -39.519 tors. eta vs tors. theta energy: -18.115 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: 3 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -554.545529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.545529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.545529 (E_RNA) where: Base-Base interactions energy: -287.497 where: short stacking energy: -146.303 Base-Backbone interact. energy: -2.187 local terms energy: -264.861059 where: bonds (distance) C4'-P energy: -68.434 bonds (distance) P-C4' energy: -90.206 flat angles C4'-P-C4' energy: -58.476 flat angles P-C4'-P energy: -36.159 tors. eta vs tors. theta energy: -11.586 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: 482 Temperature: 0.900000 Total energy: -1732.018419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.018419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.018419 (E_RNA) where: Base-Base interactions energy: -1214.795 where: short stacking energy: -508.063 Base-Backbone interact. energy: -2.128 local terms energy: -515.095441 where: bonds (distance) C4'-P energy: -91.326 bonds (distance) P-C4' energy: -90.058 flat angles C4'-P-C4' energy: -111.965 flat angles P-C4'-P energy: -74.030 tors. eta vs tors. theta energy: -147.716 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: 7 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -1663.589036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.589036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.589036 (E_RNA) where: Base-Base interactions energy: -1162.557 where: short stacking energy: -474.953 Base-Backbone interact. energy: -0.997 local terms energy: -500.035115 where: bonds (distance) C4'-P energy: -92.283 bonds (distance) P-C4' energy: -94.947 flat angles C4'-P-C4' energy: -108.833 flat angles P-C4'-P energy: -66.044 tors. eta vs tors. theta energy: -137.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -1591.612133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.612133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.612133 (E_RNA) where: Base-Base interactions energy: -1085.317 where: short stacking energy: -474.001 Base-Backbone interact. energy: 0.354 local terms energy: -506.649438 where: bonds (distance) C4'-P energy: -86.859 bonds (distance) P-C4' energy: -101.107 flat angles C4'-P-C4' energy: -107.028 flat angles P-C4'-P energy: -69.718 tors. eta vs tors. theta energy: -141.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -1499.454533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.454533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.454533 (E_RNA) where: Base-Base interactions energy: -1038.301 where: short stacking energy: -403.956 Base-Backbone interact. energy: -0.560 local terms energy: -460.593441 where: bonds (distance) C4'-P energy: -86.451 bonds (distance) P-C4' energy: -89.899 flat angles C4'-P-C4' energy: -102.200 flat angles P-C4'-P energy: -75.171 tors. eta vs tors. theta energy: -106.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -1546.974821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.974821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.974821 (E_RNA) where: Base-Base interactions energy: -1075.440 where: short stacking energy: -443.654 Base-Backbone interact. energy: 1.441 local terms energy: -472.975883 where: bonds (distance) C4'-P energy: -78.259 bonds (distance) P-C4' energy: -83.093 flat angles C4'-P-C4' energy: -98.684 flat angles P-C4'-P energy: -75.228 tors. eta vs tors. theta energy: -137.712 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: 6, replica: 4 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -1333.785480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.785480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.785480 (E_RNA) where: Base-Base interactions energy: -904.238 where: short stacking energy: -404.409 Base-Backbone interact. energy: -1.081 local terms energy: -428.466031 where: bonds (distance) C4'-P energy: -78.545 bonds (distance) P-C4' energy: -84.180 flat angles C4'-P-C4' energy: -101.081 flat angles P-C4'-P energy: -48.747 tors. eta vs tors. theta energy: -115.913 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: 5 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -1161.627099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.627099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.627099 (E_RNA) where: Base-Base interactions energy: -755.768 where: short stacking energy: -349.353 Base-Backbone interact. energy: -0.493 local terms energy: -405.366239 where: bonds (distance) C4'-P energy: -84.488 bonds (distance) P-C4' energy: -78.589 flat angles C4'-P-C4' energy: -89.963 flat angles P-C4'-P energy: -60.403 tors. eta vs tors. theta energy: -91.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -925.310895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.310895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.310895 (E_RNA) where: Base-Base interactions energy: -562.474 where: short stacking energy: -270.171 Base-Backbone interact. energy: -2.368 local terms energy: -360.469388 where: bonds (distance) C4'-P energy: -81.076 bonds (distance) P-C4' energy: -75.087 flat angles C4'-P-C4' energy: -89.966 flat angles P-C4'-P energy: -53.881 tors. eta vs tors. theta energy: -60.459 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: 9 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -753.699748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.699748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.699748 (E_RNA) where: Base-Base interactions energy: -448.023 where: short stacking energy: -220.537 Base-Backbone interact. energy: 3.569 local terms energy: -309.245492 where: bonds (distance) C4'-P energy: -74.190 bonds (distance) P-C4' energy: -82.770 flat angles C4'-P-C4' energy: -67.167 flat angles P-C4'-P energy: -48.221 tors. eta vs tors. theta energy: -36.897 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: 3 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -563.021976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.021976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.021976 (E_RNA) where: Base-Base interactions energy: -295.269 where: short stacking energy: -154.889 Base-Backbone interact. energy: -2.495 local terms energy: -265.258043 where: bonds (distance) C4'-P energy: -76.399 bonds (distance) P-C4' energy: -97.138 flat angles C4'-P-C4' energy: -54.760 flat angles P-C4'-P energy: -39.638 tors. eta vs tors. theta energy: 2.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -1738.209863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.209863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.209863 (E_RNA) where: Base-Base interactions energy: -1234.694 where: short stacking energy: -509.347 Base-Backbone interact. energy: -2.345 local terms energy: -501.170233 where: bonds (distance) C4'-P energy: -89.829 bonds (distance) P-C4' energy: -91.351 flat angles C4'-P-C4' energy: -110.471 flat angles P-C4'-P energy: -78.165 tors. eta vs tors. theta energy: -131.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -1666.609135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.609135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.609135 (E_RNA) where: Base-Base interactions energy: -1147.072 where: short stacking energy: -495.268 Base-Backbone interact. energy: 1.893 local terms energy: -521.430216 where: bonds (distance) C4'-P energy: -105.005 bonds (distance) P-C4' energy: -101.109 flat angles C4'-P-C4' energy: -107.695 flat angles P-C4'-P energy: -73.536 tors. eta vs tors. theta energy: -134.086 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: 6 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -1586.644738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.644738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.644738 (E_RNA) where: Base-Base interactions energy: -1082.698 where: short stacking energy: -472.686 Base-Backbone interact. energy: -0.818 local terms energy: -503.128438 where: bonds (distance) C4'-P energy: -96.549 bonds (distance) P-C4' energy: -89.926 flat angles C4'-P-C4' energy: -98.513 flat angles P-C4'-P energy: -70.686 tors. eta vs tors. theta energy: -147.454 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: 8 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -1584.843904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.843904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.843904 (E_RNA) where: Base-Base interactions energy: -1087.481 where: short stacking energy: -460.594 Base-Backbone interact. energy: -2.135 local terms energy: -495.228602 where: bonds (distance) C4'-P energy: -88.515 bonds (distance) P-C4' energy: -102.528 flat angles C4'-P-C4' energy: -101.051 flat angles P-C4'-P energy: -67.754 tors. eta vs tors. theta energy: -135.380 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: 10 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -1516.319155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.319155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.319155 (E_RNA) where: Base-Base interactions energy: -1044.170 where: short stacking energy: -415.201 Base-Backbone interact. energy: -0.996 local terms energy: -471.153475 where: bonds (distance) C4'-P energy: -90.354 bonds (distance) P-C4' energy: -92.950 flat angles C4'-P-C4' energy: -103.395 flat angles P-C4'-P energy: -69.737 tors. eta vs tors. theta energy: -114.717 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: 4 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -1324.538554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.538554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.538554 (E_RNA) where: Base-Base interactions energy: -899.344 where: short stacking energy: -398.791 Base-Backbone interact. energy: 3.206 local terms energy: -428.400656 where: bonds (distance) C4'-P energy: -81.428 bonds (distance) P-C4' energy: -94.777 flat angles C4'-P-C4' energy: -93.754 flat angles P-C4'-P energy: -47.791 tors. eta vs tors. theta energy: -110.650 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: 5 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -1139.700736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.700736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.700736 (E_RNA) where: Base-Base interactions energy: -733.197 where: short stacking energy: -321.314 Base-Backbone interact. energy: -2.393 local terms energy: -404.110583 where: bonds (distance) C4'-P energy: -73.857 bonds (distance) P-C4' energy: -86.446 flat angles C4'-P-C4' energy: -94.213 flat angles P-C4'-P energy: -66.581 tors. eta vs tors. theta energy: -83.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -910.062581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.062581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.062581 (E_RNA) where: Base-Base interactions energy: -579.017 where: short stacking energy: -272.782 Base-Backbone interact. energy: 1.581 local terms energy: -332.626975 where: bonds (distance) C4'-P energy: -67.166 bonds (distance) P-C4' energy: -80.486 flat angles C4'-P-C4' energy: -90.792 flat angles P-C4'-P energy: -52.407 tors. eta vs tors. theta energy: -41.777 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: 9 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -854.868031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.868031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.868031 (E_RNA) where: Base-Base interactions energy: -519.367 where: short stacking energy: -239.041 Base-Backbone interact. energy: -1.915 local terms energy: -333.586490 where: bonds (distance) C4'-P energy: -87.828 bonds (distance) P-C4' energy: -85.326 flat angles C4'-P-C4' energy: -81.459 flat angles P-C4'-P energy: -35.382 tors. eta vs tors. theta energy: -43.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -549.314269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.314269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.314269 (E_RNA) where: Base-Base interactions energy: -293.831 where: short stacking energy: -171.516 Base-Backbone interact. energy: -0.678 local terms energy: -254.804910 where: bonds (distance) C4'-P energy: -79.602 bonds (distance) P-C4' energy: -78.107 flat angles C4'-P-C4' energy: -53.224 flat angles P-C4'-P energy: -35.777 tors. eta vs tors. theta energy: -8.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -1727.832029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.832029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.832029 (E_RNA) where: Base-Base interactions energy: -1192.968 where: short stacking energy: -498.002 Base-Backbone interact. energy: -1.838 local terms energy: -533.026305 where: bonds (distance) C4'-P energy: -100.178 bonds (distance) P-C4' energy: -112.382 flat angles C4'-P-C4' energy: -106.448 flat angles P-C4'-P energy: -71.033 tors. eta vs tors. theta energy: -142.986 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: 7 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -1635.517347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.517347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.517347 (E_RNA) where: Base-Base interactions energy: -1120.309 where: short stacking energy: -468.529 Base-Backbone interact. energy: -0.249 local terms energy: -514.959312 where: bonds (distance) C4'-P energy: -96.123 bonds (distance) P-C4' energy: -96.705 flat angles C4'-P-C4' energy: -110.485 flat angles P-C4'-P energy: -73.099 tors. eta vs tors. theta energy: -138.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -1640.155431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.155431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.155431 (E_RNA) where: Base-Base interactions energy: -1139.212 where: short stacking energy: -504.154 Base-Backbone interact. energy: -0.089 local terms energy: -500.854444 where: bonds (distance) C4'-P energy: -91.480 bonds (distance) P-C4' energy: -77.412 flat angles C4'-P-C4' energy: -112.004 flat angles P-C4'-P energy: -61.582 tors. eta vs tors. theta energy: -158.376 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: 484 Temperature: 1.050000 Total energy: -1572.116019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.116019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.116019 (E_RNA) where: Base-Base interactions energy: -1075.101 where: short stacking energy: -460.600 Base-Backbone interact. energy: -0.515 local terms energy: -496.500042 where: bonds (distance) C4'-P energy: -90.877 bonds (distance) P-C4' energy: -95.664 flat angles C4'-P-C4' energy: -105.435 flat angles P-C4'-P energy: -71.766 tors. eta vs tors. theta energy: -132.758 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: 10 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -1452.165656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.165656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.165656 (E_RNA) where: Base-Base interactions energy: -992.496 where: short stacking energy: -412.986 Base-Backbone interact. energy: 0.306 local terms energy: -459.976042 where: bonds (distance) C4'-P energy: -71.814 bonds (distance) P-C4' energy: -90.588 flat angles C4'-P-C4' energy: -102.810 flat angles P-C4'-P energy: -75.053 tors. eta vs tors. theta energy: -119.711 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: 4 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -1315.431919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.431919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.431919 (E_RNA) where: Base-Base interactions energy: -889.942 where: short stacking energy: -364.304 Base-Backbone interact. energy: 0.701 local terms energy: -426.190676 where: bonds (distance) C4'-P energy: -94.440 bonds (distance) P-C4' energy: -78.322 flat angles C4'-P-C4' energy: -78.225 flat angles P-C4'-P energy: -67.138 tors. eta vs tors. theta energy: -108.066 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: 5 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -1116.407018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.407018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.407018 (E_RNA) where: Base-Base interactions energy: -762.474 where: short stacking energy: -333.545 Base-Backbone interact. energy: 1.127 local terms energy: -355.060104 where: bonds (distance) C4'-P energy: -63.870 bonds (distance) P-C4' energy: -87.654 flat angles C4'-P-C4' energy: -80.946 flat angles P-C4'-P energy: -50.672 tors. eta vs tors. theta energy: -71.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -960.929042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.929042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.929042 (E_RNA) where: Base-Base interactions energy: -585.765 where: short stacking energy: -294.368 Base-Backbone interact. energy: -2.155 local terms energy: -373.008881 where: bonds (distance) C4'-P energy: -91.494 bonds (distance) P-C4' energy: -70.698 flat angles C4'-P-C4' energy: -86.205 flat angles P-C4'-P energy: -60.752 tors. eta vs tors. theta energy: -63.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -796.444844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.444844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.444844 (E_RNA) where: Base-Base interactions energy: -499.667 where: short stacking energy: -222.433 Base-Backbone interact. energy: 1.593 local terms energy: -298.370531 where: bonds (distance) C4'-P energy: -76.774 bonds (distance) P-C4' energy: -85.178 flat angles C4'-P-C4' energy: -75.480 flat angles P-C4'-P energy: -45.727 tors. eta vs tors. theta energy: -15.211 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: 10, replica: 3 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -554.820549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.820549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.820549 (E_RNA) where: Base-Base interactions energy: -262.501 where: short stacking energy: -136.104 Base-Backbone interact. energy: -1.025 local terms energy: -291.294871 where: bonds (distance) C4'-P energy: -93.364 bonds (distance) P-C4' energy: -91.261 flat angles C4'-P-C4' energy: -64.630 flat angles P-C4'-P energy: -41.818 tors. eta vs tors. theta energy: -0.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -1727.092909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.092909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.092909 (E_RNA) where: Base-Base interactions energy: -1207.642 where: short stacking energy: -491.461 Base-Backbone interact. energy: -3.387 local terms energy: -516.063705 where: bonds (distance) C4'-P energy: -82.388 bonds (distance) P-C4' energy: -107.474 flat angles C4'-P-C4' energy: -105.048 flat angles P-C4'-P energy: -75.688 tors. eta vs tors. theta energy: -145.466 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: 7 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -1661.853504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.853504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.853504 (E_RNA) where: Base-Base interactions energy: -1164.466 where: short stacking energy: -478.926 Base-Backbone interact. energy: 2.631 local terms energy: -500.019193 where: bonds (distance) C4'-P energy: -94.211 bonds (distance) P-C4' energy: -100.033 flat angles C4'-P-C4' energy: -115.324 flat angles P-C4'-P energy: -59.680 tors. eta vs tors. theta energy: -130.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -1633.183818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.183818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.183818 (E_RNA) where: Base-Base interactions energy: -1135.009 where: short stacking energy: -493.000 Base-Backbone interact. energy: -1.214 local terms energy: -496.960918 where: bonds (distance) C4'-P energy: -87.691 bonds (distance) P-C4' energy: -93.967 flat angles C4'-P-C4' energy: -100.344 flat angles P-C4'-P energy: -74.714 tors. eta vs tors. theta energy: -140.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -1590.380858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.380858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.380858 (E_RNA) where: Base-Base interactions energy: -1102.496 where: short stacking energy: -470.228 Base-Backbone interact. energy: -0.928 local terms energy: -486.956652 where: bonds (distance) C4'-P energy: -79.848 bonds (distance) P-C4' energy: -94.802 flat angles C4'-P-C4' energy: -103.377 flat angles P-C4'-P energy: -72.810 tors. eta vs tors. theta energy: -136.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -1472.966717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.966717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.966717 (E_RNA) where: Base-Base interactions energy: -1005.218 where: short stacking energy: -417.629 Base-Backbone interact. energy: -1.936 local terms energy: -465.811969 where: bonds (distance) C4'-P energy: -92.099 bonds (distance) P-C4' energy: -89.226 flat angles C4'-P-C4' energy: -106.758 flat angles P-C4'-P energy: -65.570 tors. eta vs tors. theta energy: -112.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -1326.644057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.644057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.644057 (E_RNA) where: Base-Base interactions energy: -905.301 where: short stacking energy: -388.125 Base-Backbone interact. energy: -0.691 local terms energy: -420.652076 where: bonds (distance) C4'-P energy: -77.962 bonds (distance) P-C4' energy: -93.419 flat angles C4'-P-C4' energy: -92.134 flat angles P-C4'-P energy: -50.001 tors. eta vs tors. theta energy: -107.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -1104.696811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.696811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.696811 (E_RNA) where: Base-Base interactions energy: -724.383 where: short stacking energy: -330.177 Base-Backbone interact. energy: -0.707 local terms energy: -379.606540 where: bonds (distance) C4'-P energy: -77.560 bonds (distance) P-C4' energy: -78.719 flat angles C4'-P-C4' energy: -100.690 flat angles P-C4'-P energy: -57.511 tors. eta vs tors. theta energy: -65.127 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: 8, replica: 1 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -921.233859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.233859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.233859 (E_RNA) where: Base-Base interactions energy: -580.456 where: short stacking energy: -283.794 Base-Backbone interact. energy: 0.666 local terms energy: -341.443438 where: bonds (distance) C4'-P energy: -71.137 bonds (distance) P-C4' energy: -83.883 flat angles C4'-P-C4' energy: -76.995 flat angles P-C4'-P energy: -55.312 tors. eta vs tors. theta energy: -54.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -734.318257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.318257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.318257 (E_RNA) where: Base-Base interactions energy: -430.922 where: short stacking energy: -219.850 Base-Backbone interact. energy: -2.555 local terms energy: -300.841102 where: bonds (distance) C4'-P energy: -73.841 bonds (distance) P-C4' energy: -92.129 flat angles C4'-P-C4' energy: -74.994 flat angles P-C4'-P energy: -27.418 tors. eta vs tors. theta energy: -32.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -522.981545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.981545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.981545 (E_RNA) where: Base-Base interactions energy: -244.209 where: short stacking energy: -141.321 Base-Backbone interact. energy: 0.754 local terms energy: -279.526974 where: bonds (distance) C4'-P energy: -82.780 bonds (distance) P-C4' energy: -85.592 flat angles C4'-P-C4' energy: -79.754 flat angles P-C4'-P energy: -31.703 tors. eta vs tors. theta energy: 0.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -1750.719063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.719063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.719063 (E_RNA) where: Base-Base interactions energy: -1243.504 where: short stacking energy: -508.793 Base-Backbone interact. energy: -4.529 local terms energy: -502.686778 where: bonds (distance) C4'-P energy: -86.718 bonds (distance) P-C4' energy: -99.005 flat angles C4'-P-C4' energy: -111.469 flat angles P-C4'-P energy: -64.587 tors. eta vs tors. theta energy: -140.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -1658.377237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.377237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.377237 (E_RNA) where: Base-Base interactions energy: -1159.628 where: short stacking energy: -497.828 Base-Backbone interact. energy: -1.656 local terms energy: -497.093092 where: bonds (distance) C4'-P energy: -86.752 bonds (distance) P-C4' energy: -87.072 flat angles C4'-P-C4' energy: -112.205 flat angles P-C4'-P energy: -75.065 tors. eta vs tors. theta energy: -135.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -1611.715533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.715533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.715533 (E_RNA) where: Base-Base interactions energy: -1117.464 where: short stacking energy: -485.867 Base-Backbone interact. energy: 3.145 local terms energy: -497.397125 where: bonds (distance) C4'-P energy: -90.848 bonds (distance) P-C4' energy: -89.470 flat angles C4'-P-C4' energy: -106.108 flat angles P-C4'-P energy: -73.771 tors. eta vs tors. theta energy: -137.200 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: 8 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -1575.791419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.791419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.791419 (E_RNA) where: Base-Base interactions energy: -1073.690 where: short stacking energy: -455.756 Base-Backbone interact. energy: -1.842 local terms energy: -500.259572 where: bonds (distance) C4'-P energy: -95.273 bonds (distance) P-C4' energy: -94.955 flat angles C4'-P-C4' energy: -104.773 flat angles P-C4'-P energy: -68.455 tors. eta vs tors. theta energy: -136.803 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: 10 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -1505.974160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.974160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.974160 (E_RNA) where: Base-Base interactions energy: -1054.921 where: short stacking energy: -446.058 Base-Backbone interact. energy: 0.388 local terms energy: -451.441169 where: bonds (distance) C4'-P energy: -74.667 bonds (distance) P-C4' energy: -90.557 flat angles C4'-P-C4' energy: -107.116 flat angles P-C4'-P energy: -64.389 tors. eta vs tors. theta energy: -114.712 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: 6, replica: 4 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -1311.654738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.654738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.654738 (E_RNA) where: Base-Base interactions energy: -887.505 where: short stacking energy: -376.803 Base-Backbone interact. energy: -0.918 local terms energy: -423.231336 where: bonds (distance) C4'-P energy: -82.234 bonds (distance) P-C4' energy: -93.674 flat angles C4'-P-C4' energy: -79.596 flat angles P-C4'-P energy: -65.039 tors. eta vs tors. theta energy: -102.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -1111.667134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.667134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.667134 (E_RNA) where: Base-Base interactions energy: -737.353 where: short stacking energy: -327.553 Base-Backbone interact. energy: -1.756 local terms energy: -372.558335 where: bonds (distance) C4'-P energy: -64.489 bonds (distance) P-C4' energy: -73.418 flat angles C4'-P-C4' energy: -99.690 flat angles P-C4'-P energy: -51.001 tors. eta vs tors. theta energy: -83.961 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: 486 Temperature: 1.250000 Total energy: -1066.629806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.629806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.629806 (E_RNA) where: Base-Base interactions energy: -714.739 where: short stacking energy: -329.869 Base-Backbone interact. energy: -0.840 local terms energy: -351.050686 where: bonds (distance) C4'-P energy: -75.584 bonds (distance) P-C4' energy: -79.015 flat angles C4'-P-C4' energy: -73.720 flat angles P-C4'-P energy: -47.874 tors. eta vs tors. theta energy: -74.858 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: 9 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -758.643583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.643583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.643583 (E_RNA) where: Base-Base interactions energy: -461.245 where: short stacking energy: -228.969 Base-Backbone interact. energy: -1.311 local terms energy: -296.087472 where: bonds (distance) C4'-P energy: -71.592 bonds (distance) P-C4' energy: -91.043 flat angles C4'-P-C4' energy: -71.849 flat angles P-C4'-P energy: -41.388 tors. eta vs tors. theta energy: -20.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -485.325428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.325428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.325428 (E_RNA) where: Base-Base interactions energy: -222.905 where: short stacking energy: -156.947 Base-Backbone interact. energy: 1.585 local terms energy: -264.006297 where: bonds (distance) C4'-P energy: -81.475 bonds (distance) P-C4' energy: -71.992 flat angles C4'-P-C4' energy: -79.451 flat angles P-C4'-P energy: -32.524 tors. eta vs tors. theta energy: 1.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -1733.848124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.848124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.848124 (E_RNA) where: Base-Base interactions energy: -1206.218 where: short stacking energy: -500.228 Base-Backbone interact. energy: -1.116 local terms energy: -526.514185 where: bonds (distance) C4'-P energy: -92.355 bonds (distance) P-C4' energy: -98.960 flat angles C4'-P-C4' energy: -109.999 flat angles P-C4'-P energy: -77.142 tors. eta vs tors. theta energy: -148.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -1707.983021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.983021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.983021 (E_RNA) where: Base-Base interactions energy: -1184.465 where: short stacking energy: -497.778 Base-Backbone interact. energy: -1.639 local terms energy: -521.878988 where: bonds (distance) C4'-P energy: -73.631 bonds (distance) P-C4' energy: -96.853 flat angles C4'-P-C4' energy: -119.961 flat angles P-C4'-P energy: -75.692 tors. eta vs tors. theta energy: -155.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -1611.236824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.236824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.236824 (E_RNA) where: Base-Base interactions energy: -1129.504 where: short stacking energy: -481.361 Base-Backbone interact. energy: -2.956 local terms energy: -478.776921 where: bonds (distance) C4'-P energy: -75.431 bonds (distance) P-C4' energy: -87.529 flat angles C4'-P-C4' energy: -114.708 flat angles P-C4'-P energy: -61.131 tors. eta vs tors. theta energy: -139.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -1582.845453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.845453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.845453 (E_RNA) where: Base-Base interactions energy: -1082.192 where: short stacking energy: -459.681 Base-Backbone interact. energy: -0.756 local terms energy: -499.897539 where: bonds (distance) C4'-P energy: -97.749 bonds (distance) P-C4' energy: -88.960 flat angles C4'-P-C4' energy: -110.110 flat angles P-C4'-P energy: -66.344 tors. eta vs tors. theta energy: -136.734 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: 10 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -1472.624754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.624754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.624754 (E_RNA) where: Base-Base interactions energy: -1042.292 where: short stacking energy: -448.561 Base-Backbone interact. energy: -2.912 local terms energy: -427.420695 where: bonds (distance) C4'-P energy: -74.939 bonds (distance) P-C4' energy: -79.584 flat angles C4'-P-C4' energy: -83.157 flat angles P-C4'-P energy: -64.368 tors. eta vs tors. theta energy: -125.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -1335.109075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.109075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.109075 (E_RNA) where: Base-Base interactions energy: -903.374 where: short stacking energy: -390.812 Base-Backbone interact. energy: -1.488 local terms energy: -430.247026 where: bonds (distance) C4'-P energy: -80.409 bonds (distance) P-C4' energy: -82.567 flat angles C4'-P-C4' energy: -102.895 flat angles P-C4'-P energy: -60.484 tors. eta vs tors. theta energy: -103.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -1144.233722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.233722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.233722 (E_RNA) where: Base-Base interactions energy: -775.401 where: short stacking energy: -333.823 Base-Backbone interact. energy: 2.025 local terms energy: -370.857645 where: bonds (distance) C4'-P energy: -75.561 bonds (distance) P-C4' energy: -77.306 flat angles C4'-P-C4' energy: -80.683 flat angles P-C4'-P energy: -54.108 tors. eta vs tors. theta energy: -83.200 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: 8, replica: 1 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -1073.373429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.373429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.373429 (E_RNA) where: Base-Base interactions energy: -719.294 where: short stacking energy: -331.514 Base-Backbone interact. energy: -0.773 local terms energy: -353.306884 where: bonds (distance) C4'-P energy: -73.678 bonds (distance) P-C4' energy: -80.703 flat angles C4'-P-C4' energy: -73.485 flat angles P-C4'-P energy: -53.213 tors. eta vs tors. theta energy: -72.229 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: 9, replica: 9 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -740.711085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.711085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.711085 (E_RNA) where: Base-Base interactions energy: -445.066 where: short stacking energy: -234.597 Base-Backbone interact. energy: 0.662 local terms energy: -296.306938 where: bonds (distance) C4'-P energy: -61.463 bonds (distance) P-C4' energy: -90.619 flat angles C4'-P-C4' energy: -77.274 flat angles P-C4'-P energy: -36.253 tors. eta vs tors. theta energy: -30.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -467.432926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.432926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.432926 (E_RNA) where: Base-Base interactions energy: -197.356 where: short stacking energy: -110.856 Base-Backbone interact. energy: 0.512 local terms energy: -270.588993 where: bonds (distance) C4'-P energy: -94.539 bonds (distance) P-C4' energy: -80.745 flat angles C4'-P-C4' energy: -68.852 flat angles P-C4'-P energy: -43.429 tors. eta vs tors. theta energy: 16.976 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: 1, replica: 2 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -1749.868788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.868788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.868788 (E_RNA) where: Base-Base interactions energy: -1224.554 where: short stacking energy: -521.068 Base-Backbone interact. energy: 0.232 local terms energy: -525.546370 where: bonds (distance) C4'-P energy: -89.080 bonds (distance) P-C4' energy: -104.594 flat angles C4'-P-C4' energy: -112.743 flat angles P-C4'-P energy: -79.069 tors. eta vs tors. theta energy: -140.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -1694.276773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.276773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.276773 (E_RNA) where: Base-Base interactions energy: -1159.591 where: short stacking energy: -493.953 Base-Backbone interact. energy: -0.233 local terms energy: -534.452360 where: bonds (distance) C4'-P energy: -101.495 bonds (distance) P-C4' energy: -97.286 flat angles C4'-P-C4' energy: -110.424 flat angles P-C4'-P energy: -80.928 tors. eta vs tors. theta energy: -144.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -1634.363178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.363178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.363178 (E_RNA) where: Base-Base interactions energy: -1136.968 where: short stacking energy: -487.415 Base-Backbone interact. energy: -1.165 local terms energy: -496.230214 where: bonds (distance) C4'-P energy: -83.577 bonds (distance) P-C4' energy: -89.885 flat angles C4'-P-C4' energy: -101.782 flat angles P-C4'-P energy: -73.631 tors. eta vs tors. theta energy: -147.356 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: 8 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -1590.445445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.445445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.445445 (E_RNA) where: Base-Base interactions energy: -1137.199 where: short stacking energy: -465.826 Base-Backbone interact. energy: -1.923 local terms energy: -451.324078 where: bonds (distance) C4'-P energy: -77.391 bonds (distance) P-C4' energy: -78.864 flat angles C4'-P-C4' energy: -104.541 flat angles P-C4'-P energy: -70.329 tors. eta vs tors. theta energy: -120.200 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: 5, replica: 10 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -1464.028795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.028795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.028795 (E_RNA) where: Base-Base interactions energy: -1014.969 where: short stacking energy: -403.804 Base-Backbone interact. energy: -0.568 local terms energy: -448.491710 where: bonds (distance) C4'-P energy: -77.633 bonds (distance) P-C4' energy: -92.524 flat angles C4'-P-C4' energy: -98.915 flat angles P-C4'-P energy: -66.231 tors. eta vs tors. theta energy: -113.189 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: 4 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -1321.388691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.388691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.388691 (E_RNA) where: Base-Base interactions energy: -895.247 where: short stacking energy: -369.026 Base-Backbone interact. energy: -0.615 local terms energy: -425.526038 where: bonds (distance) C4'-P energy: -92.559 bonds (distance) P-C4' energy: -86.723 flat angles C4'-P-C4' energy: -95.430 flat angles P-C4'-P energy: -60.319 tors. eta vs tors. theta energy: -90.496 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: 5 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -1130.316657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.316657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.316657 (E_RNA) where: Base-Base interactions energy: -746.403 where: short stacking energy: -345.621 Base-Backbone interact. energy: 0.351 local terms energy: -384.264204 where: bonds (distance) C4'-P energy: -80.773 bonds (distance) P-C4' energy: -80.550 flat angles C4'-P-C4' energy: -78.656 flat angles P-C4'-P energy: -58.356 tors. eta vs tors. theta energy: -85.929 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: 1 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -1030.420661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.420661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.420661 (E_RNA) where: Base-Base interactions energy: -649.799 where: short stacking energy: -302.375 Base-Backbone interact. energy: -0.314 local terms energy: -380.307041 where: bonds (distance) C4'-P energy: -79.635 bonds (distance) P-C4' energy: -78.172 flat angles C4'-P-C4' energy: -83.229 flat angles P-C4'-P energy: -53.398 tors. eta vs tors. theta energy: -85.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -760.851543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.851543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.851543 (E_RNA) where: Base-Base interactions energy: -463.590 where: short stacking energy: -216.540 Base-Backbone interact. energy: 0.176 local terms energy: -297.437325 where: bonds (distance) C4'-P energy: -70.355 bonds (distance) P-C4' energy: -87.370 flat angles C4'-P-C4' energy: -73.163 flat angles P-C4'-P energy: -54.582 tors. eta vs tors. theta energy: -11.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -497.377681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.377681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.377681 (E_RNA) where: Base-Base interactions energy: -233.360 where: short stacking energy: -146.685 Base-Backbone interact. energy: 0.303 local terms energy: -264.321071 where: bonds (distance) C4'-P energy: -61.171 bonds (distance) P-C4' energy: -86.706 flat angles C4'-P-C4' energy: -80.118 flat angles P-C4'-P energy: -37.240 tors. eta vs tors. theta energy: 0.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -1726.503943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.503943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.503943 (E_RNA) where: Base-Base interactions energy: -1202.208 where: short stacking energy: -502.215 Base-Backbone interact. energy: 3.857 local terms energy: -528.152945 where: bonds (distance) C4'-P energy: -105.522 bonds (distance) P-C4' energy: -96.031 flat angles C4'-P-C4' energy: -111.658 flat angles P-C4'-P energy: -73.140 tors. eta vs tors. theta energy: -141.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -1677.585042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.585042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.585042 (E_RNA) where: Base-Base interactions energy: -1170.600 where: short stacking energy: -479.964 Base-Backbone interact. energy: -3.638 local terms energy: -503.347305 where: bonds (distance) C4'-P energy: -93.486 bonds (distance) P-C4' energy: -90.326 flat angles C4'-P-C4' energy: -108.481 flat angles P-C4'-P energy: -67.647 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: 3, replica: 6 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -1617.250624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.250624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.250624 (E_RNA) where: Base-Base interactions energy: -1117.062 where: short stacking energy: -495.481 Base-Backbone interact. energy: -1.919 local terms energy: -498.269174 where: bonds (distance) C4'-P energy: -86.532 bonds (distance) P-C4' energy: -87.494 flat angles C4'-P-C4' energy: -105.076 flat angles P-C4'-P energy: -71.346 tors. eta vs tors. theta energy: -147.822 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: 4, replica: 8 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -1550.701437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.701437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.701437 (E_RNA) where: Base-Base interactions energy: -1069.579 where: short stacking energy: -465.481 Base-Backbone interact. energy: -2.411 local terms energy: -478.711851 where: bonds (distance) C4'-P energy: -91.879 bonds (distance) P-C4' energy: -88.799 flat angles C4'-P-C4' energy: -104.531 flat angles P-C4'-P energy: -61.070 tors. eta vs tors. theta energy: -132.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -1516.533485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.533485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.533485 (E_RNA) where: Base-Base interactions energy: -1028.155 where: short stacking energy: -443.820 Base-Backbone interact. energy: -2.171 local terms energy: -486.207338 where: bonds (distance) C4'-P energy: -85.601 bonds (distance) P-C4' energy: -98.223 flat angles C4'-P-C4' energy: -105.701 flat angles P-C4'-P energy: -63.586 tors. eta vs tors. theta energy: -133.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -1312.186767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.186767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.186767 (E_RNA) where: Base-Base interactions energy: -863.325 where: short stacking energy: -379.626 Base-Backbone interact. energy: -1.409 local terms energy: -447.452355 where: bonds (distance) C4'-P energy: -76.416 bonds (distance) P-C4' energy: -95.923 flat angles C4'-P-C4' energy: -95.212 flat angles P-C4'-P energy: -67.355 tors. eta vs tors. theta energy: -112.546 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: 5 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -1024.904787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.904787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.904787 (E_RNA) where: Base-Base interactions energy: -673.841 where: short stacking energy: -309.376 Base-Backbone interact. energy: 0.861 local terms energy: -351.924081 where: bonds (distance) C4'-P energy: -71.893 bonds (distance) P-C4' energy: -79.582 flat angles C4'-P-C4' energy: -77.925 flat angles P-C4'-P energy: -57.348 tors. eta vs tors. theta energy: -65.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -1023.097379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.097379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.097379 (E_RNA) where: Base-Base interactions energy: -639.641 where: short stacking energy: -281.212 Base-Backbone interact. energy: -0.733 local terms energy: -382.723525 where: bonds (distance) C4'-P energy: -83.457 bonds (distance) P-C4' energy: -82.185 flat angles C4'-P-C4' energy: -92.766 flat angles P-C4'-P energy: -53.486 tors. eta vs tors. theta energy: -70.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -768.383023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.383023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.383023 (E_RNA) where: Base-Base interactions energy: -442.842 where: short stacking energy: -204.611 Base-Backbone interact. energy: -1.742 local terms energy: -323.798459 where: bonds (distance) C4'-P energy: -98.113 bonds (distance) P-C4' energy: -82.827 flat angles C4'-P-C4' energy: -67.171 flat angles P-C4'-P energy: -58.589 tors. eta vs tors. theta energy: -17.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -496.182435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.182435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.182435 (E_RNA) where: Base-Base interactions energy: -250.410 where: short stacking energy: -168.861 Base-Backbone interact. energy: -2.059 local terms energy: -243.712600 where: bonds (distance) C4'-P energy: -75.071 bonds (distance) P-C4' energy: -73.213 flat angles C4'-P-C4' energy: -59.630 flat angles P-C4'-P energy: -29.525 tors. eta vs tors. theta energy: -6.274 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: 2 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -1742.996933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.996933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.996933 (E_RNA) where: Base-Base interactions energy: -1223.819 where: short stacking energy: -507.073 Base-Backbone interact. energy: 2.251 local terms energy: -521.429652 where: bonds (distance) C4'-P energy: -100.942 bonds (distance) P-C4' energy: -96.278 flat angles C4'-P-C4' energy: -115.199 flat angles P-C4'-P energy: -63.422 tors. eta vs tors. theta energy: -145.588 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: 7 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -1695.324541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.324541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.324541 (E_RNA) where: Base-Base interactions energy: -1175.387 where: short stacking energy: -504.776 Base-Backbone interact. energy: -3.384 local terms energy: -516.553750 where: bonds (distance) C4'-P energy: -85.256 bonds (distance) P-C4' energy: -95.607 flat angles C4'-P-C4' energy: -113.900 flat angles P-C4'-P energy: -80.531 tors. eta vs tors. theta energy: -141.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -1612.393945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.393945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.393945 (E_RNA) where: Base-Base interactions energy: -1114.864 where: short stacking energy: -461.254 Base-Backbone interact. energy: -1.805 local terms energy: -495.724276 where: bonds (distance) C4'-P energy: -92.979 bonds (distance) P-C4' energy: -99.537 flat angles C4'-P-C4' energy: -108.792 flat angles P-C4'-P energy: -60.996 tors. eta vs tors. theta energy: -133.420 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: 8 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -1577.764065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.764065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.764065 (E_RNA) where: Base-Base interactions energy: -1100.838 where: short stacking energy: -461.396 Base-Backbone interact. energy: 1.466 local terms energy: -478.391741 where: bonds (distance) C4'-P energy: -101.358 bonds (distance) P-C4' energy: -88.374 flat angles C4'-P-C4' energy: -95.454 flat angles P-C4'-P energy: -56.496 tors. eta vs tors. theta energy: -136.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -1464.401857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.401857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.401857 (E_RNA) where: Base-Base interactions energy: -1027.466 where: short stacking energy: -430.244 Base-Backbone interact. energy: -0.530 local terms energy: -436.406031 where: bonds (distance) C4'-P energy: -79.686 bonds (distance) P-C4' energy: -79.412 flat angles C4'-P-C4' energy: -101.291 flat angles P-C4'-P energy: -55.533 tors. eta vs tors. theta energy: -120.483 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: 4 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -1298.140473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.140473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.140473 (E_RNA) where: Base-Base interactions energy: -870.263 where: short stacking energy: -380.166 Base-Backbone interact. energy: 0.464 local terms energy: -428.340550 where: bonds (distance) C4'-P energy: -85.873 bonds (distance) P-C4' energy: -69.086 flat angles C4'-P-C4' energy: -97.127 flat angles P-C4'-P energy: -63.219 tors. eta vs tors. theta energy: -113.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -1094.146717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.146717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.146717 (E_RNA) where: Base-Base interactions energy: -698.946 where: short stacking energy: -341.383 Base-Backbone interact. energy: -2.303 local terms energy: -392.897269 where: bonds (distance) C4'-P energy: -79.454 bonds (distance) P-C4' energy: -94.608 flat angles C4'-P-C4' energy: -85.719 flat angles P-C4'-P energy: -58.265 tors. eta vs tors. theta energy: -74.852 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: 5 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -1051.865097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.865097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.865097 (E_RNA) where: Base-Base interactions energy: -679.910 where: short stacking energy: -294.158 Base-Backbone interact. energy: -3.737 local terms energy: -368.218771 where: bonds (distance) C4'-P energy: -81.495 bonds (distance) P-C4' energy: -92.333 flat angles C4'-P-C4' energy: -98.460 flat angles P-C4'-P energy: -31.548 tors. eta vs tors. theta energy: -64.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -741.488599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.488599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.488599 (E_RNA) where: Base-Base interactions energy: -433.431 where: short stacking energy: -210.218 Base-Backbone interact. energy: 0.470 local terms energy: -308.527720 where: bonds (distance) C4'-P energy: -86.816 bonds (distance) P-C4' energy: -87.065 flat angles C4'-P-C4' energy: -65.202 flat angles P-C4'-P energy: -49.102 tors. eta vs tors. theta energy: -20.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -468.579589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.579589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.579589 (E_RNA) where: Base-Base interactions energy: -205.754 where: short stacking energy: -146.238 Base-Backbone interact. energy: 0.681 local terms energy: -263.506167 where: bonds (distance) C4'-P energy: -74.132 bonds (distance) P-C4' energy: -82.295 flat angles C4'-P-C4' energy: -58.062 flat angles P-C4'-P energy: -38.772 tors. eta vs tors. theta energy: -10.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -1759.311234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.311234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.311234 (E_RNA) where: Base-Base interactions energy: -1245.225 where: short stacking energy: -522.022 Base-Backbone interact. energy: -1.951 local terms energy: -512.134959 where: bonds (distance) C4'-P energy: -88.674 bonds (distance) P-C4' energy: -88.018 flat angles C4'-P-C4' energy: -114.370 flat angles P-C4'-P energy: -70.201 tors. eta vs tors. theta energy: -150.872 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: 7 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -1689.218889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.218889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.218889 (E_RNA) where: Base-Base interactions energy: -1193.675 where: short stacking energy: -493.296 Base-Backbone interact. energy: -0.917 local terms energy: -494.627258 where: bonds (distance) C4'-P energy: -85.041 bonds (distance) P-C4' energy: -97.666 flat angles C4'-P-C4' energy: -110.747 flat angles P-C4'-P energy: -68.905 tors. eta vs tors. theta energy: -132.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -1651.402619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.402619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.402619 (E_RNA) where: Base-Base interactions energy: -1145.288 where: short stacking energy: -490.795 Base-Backbone interact. energy: -1.921 local terms energy: -504.194194 where: bonds (distance) C4'-P energy: -90.486 bonds (distance) P-C4' energy: -91.420 flat angles C4'-P-C4' energy: -109.458 flat angles P-C4'-P energy: -69.875 tors. eta vs tors. theta energy: -142.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -1590.875527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.875527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.875527 (E_RNA) where: Base-Base interactions energy: -1087.014 where: short stacking energy: -467.937 Base-Backbone interact. energy: -2.193 local terms energy: -501.667718 where: bonds (distance) C4'-P energy: -84.893 bonds (distance) P-C4' energy: -96.307 flat angles C4'-P-C4' energy: -102.503 flat angles P-C4'-P energy: -80.879 tors. eta vs tors. theta energy: -137.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -1477.813257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.813257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.813257 (E_RNA) where: Base-Base interactions energy: -1057.122 where: short stacking energy: -426.088 Base-Backbone interact. energy: 3.936 local terms energy: -424.627095 where: bonds (distance) C4'-P energy: -76.771 bonds (distance) P-C4' energy: -95.841 flat angles C4'-P-C4' energy: -92.260 flat angles P-C4'-P energy: -56.586 tors. eta vs tors. theta energy: -103.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -1329.209166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.209166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.209166 (E_RNA) where: Base-Base interactions energy: -887.095 where: short stacking energy: -391.964 Base-Backbone interact. energy: 0.123 local terms energy: -442.236840 where: bonds (distance) C4'-P energy: -79.197 bonds (distance) P-C4' energy: -90.980 flat angles C4'-P-C4' energy: -91.131 flat angles P-C4'-P energy: -62.207 tors. eta vs tors. theta energy: -118.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -1061.593483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.593483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.593483 (E_RNA) where: Base-Base interactions energy: -664.802 where: short stacking energy: -307.619 Base-Backbone interact. energy: 3.717 local terms energy: -400.508380 where: bonds (distance) C4'-P energy: -75.979 bonds (distance) P-C4' energy: -96.060 flat angles C4'-P-C4' energy: -90.837 flat angles P-C4'-P energy: -64.376 tors. eta vs tors. theta energy: -73.256 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: 491 Temperature: 1.250000 Total energy: -1029.078845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.078845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.078845 (E_RNA) where: Base-Base interactions energy: -682.388 where: short stacking energy: -294.983 Base-Backbone interact. energy: 0.944 local terms energy: -347.634125 where: bonds (distance) C4'-P energy: -67.297 bonds (distance) P-C4' energy: -81.013 flat angles C4'-P-C4' energy: -79.835 flat angles P-C4'-P energy: -57.875 tors. eta vs tors. theta energy: -61.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -787.573916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.573916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.573916 (E_RNA) where: Base-Base interactions energy: -458.574 where: short stacking energy: -222.133 Base-Backbone interact. energy: 1.360 local terms energy: -330.360364 where: bonds (distance) C4'-P energy: -85.672 bonds (distance) P-C4' energy: -83.970 flat angles C4'-P-C4' energy: -80.801 flat angles P-C4'-P energy: -38.497 tors. eta vs tors. theta energy: -41.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -499.708046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.708046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.708046 (E_RNA) where: Base-Base interactions energy: -256.349 where: short stacking energy: -164.577 Base-Backbone interact. energy: 4.002 local terms energy: -247.360791 where: bonds (distance) C4'-P energy: -66.337 bonds (distance) P-C4' energy: -87.180 flat angles C4'-P-C4' energy: -64.196 flat angles P-C4'-P energy: -34.228 tors. eta vs tors. theta energy: 4.580 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: 2 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -1752.808742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.808742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.808742 (E_RNA) where: Base-Base interactions energy: -1245.576 where: short stacking energy: -523.889 Base-Backbone interact. energy: -0.859 local terms energy: -506.373637 where: bonds (distance) C4'-P energy: -91.967 bonds (distance) P-C4' energy: -97.434 flat angles C4'-P-C4' energy: -98.971 flat angles P-C4'-P energy: -73.450 tors. eta vs tors. theta energy: -144.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -1674.109520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.109520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.109520 (E_RNA) where: Base-Base interactions energy: -1173.795 where: short stacking energy: -495.178 Base-Backbone interact. energy: 0.122 local terms energy: -500.436544 where: bonds (distance) C4'-P energy: -80.305 bonds (distance) P-C4' energy: -108.048 flat angles C4'-P-C4' energy: -109.579 flat angles P-C4'-P energy: -69.649 tors. eta vs tors. theta energy: -132.855 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: 6 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -1652.554541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.554541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.554541 (E_RNA) where: Base-Base interactions energy: -1123.156 where: short stacking energy: -480.723 Base-Backbone interact. energy: -1.661 local terms energy: -527.737032 where: bonds (distance) C4'-P energy: -100.592 bonds (distance) P-C4' energy: -102.442 flat angles C4'-P-C4' energy: -106.231 flat angles P-C4'-P energy: -71.416 tors. eta vs tors. theta energy: -147.057 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: 492 Temperature: 1.050000 Total energy: -1595.766471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.766471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.766471 (E_RNA) where: Base-Base interactions energy: -1128.167 where: short stacking energy: -468.358 Base-Backbone interact. energy: 1.532 local terms energy: -469.131750 where: bonds (distance) C4'-P energy: -84.768 bonds (distance) P-C4' energy: -80.488 flat angles C4'-P-C4' energy: -104.412 flat angles P-C4'-P energy: -70.842 tors. eta vs tors. theta energy: -128.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -1455.545755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.545755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.545755 (E_RNA) where: Base-Base interactions energy: -1011.281 where: short stacking energy: -420.741 Base-Backbone interact. energy: -2.509 local terms energy: -441.755961 where: bonds (distance) C4'-P energy: -81.743 bonds (distance) P-C4' energy: -84.711 flat angles C4'-P-C4' energy: -98.770 flat angles P-C4'-P energy: -58.101 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: 6, replica: 4 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -1378.966379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.966379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.966379 (E_RNA) where: Base-Base interactions energy: -909.241 where: short stacking energy: -424.641 Base-Backbone interact. energy: 0.479 local terms energy: -470.204887 where: bonds (distance) C4'-P energy: -97.396 bonds (distance) P-C4' energy: -88.174 flat angles C4'-P-C4' energy: -94.655 flat angles P-C4'-P energy: -67.458 tors. eta vs tors. theta energy: -122.521 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: 5 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -1068.695693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.695693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.695693 (E_RNA) where: Base-Base interactions energy: -682.077 where: short stacking energy: -291.001 Base-Backbone interact. energy: 0.091 local terms energy: -386.710380 where: bonds (distance) C4'-P energy: -81.426 bonds (distance) P-C4' energy: -85.925 flat angles C4'-P-C4' energy: -86.452 flat angles P-C4'-P energy: -62.253 tors. eta vs tors. theta energy: -70.654 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: 492 Temperature: 1.250000 Total energy: -1049.434423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.434423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.434423 (E_RNA) where: Base-Base interactions energy: -668.945 where: short stacking energy: -292.698 Base-Backbone interact. energy: -1.796 local terms energy: -378.693341 where: bonds (distance) C4'-P energy: -82.730 bonds (distance) P-C4' energy: -81.989 flat angles C4'-P-C4' energy: -76.065 flat angles P-C4'-P energy: -54.785 tors. eta vs tors. theta energy: -83.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -807.945234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.945234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.945234 (E_RNA) where: Base-Base interactions energy: -483.299 where: short stacking energy: -250.340 Base-Backbone interact. energy: -2.079 local terms energy: -322.567665 where: bonds (distance) C4'-P energy: -67.083 bonds (distance) P-C4' energy: -85.028 flat angles C4'-P-C4' energy: -78.896 flat angles P-C4'-P energy: -46.541 tors. eta vs tors. theta energy: -45.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -474.648835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.648835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.648835 (E_RNA) where: Base-Base interactions energy: -229.498 where: short stacking energy: -161.016 Base-Backbone interact. energy: 6.180 local terms energy: -251.330748 where: bonds (distance) C4'-P energy: -65.020 bonds (distance) P-C4' energy: -80.997 flat angles C4'-P-C4' energy: -75.240 flat angles P-C4'-P energy: -31.795 tors. eta vs tors. theta energy: 1.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -1718.972915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.972915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.972915 (E_RNA) where: Base-Base interactions energy: -1200.287 where: short stacking energy: -504.330 Base-Backbone interact. energy: -1.920 local terms energy: -516.765673 where: bonds (distance) C4'-P energy: -90.388 bonds (distance) P-C4' energy: -105.660 flat angles C4'-P-C4' energy: -109.153 flat angles P-C4'-P energy: -66.102 tors. eta vs tors. theta energy: -145.463 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: 6 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -1692.742543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.742543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.742543 (E_RNA) where: Base-Base interactions energy: -1175.274 where: short stacking energy: -520.220 Base-Backbone interact. energy: -0.394 local terms energy: -517.074359 where: bonds (distance) C4'-P energy: -90.487 bonds (distance) P-C4' energy: -97.489 flat angles C4'-P-C4' energy: -110.537 flat angles P-C4'-P energy: -62.647 tors. eta vs tors. theta energy: -155.914 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: 7 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -1659.742161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.742161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.742161 (E_RNA) where: Base-Base interactions energy: -1152.508 where: short stacking energy: -475.008 Base-Backbone interact. energy: -2.333 local terms energy: -504.901353 where: bonds (distance) C4'-P energy: -92.022 bonds (distance) P-C4' energy: -103.264 flat angles C4'-P-C4' energy: -102.665 flat angles P-C4'-P energy: -78.413 tors. eta vs tors. theta energy: -128.538 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: 8 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -1566.729156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.729156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.729156 (E_RNA) where: Base-Base interactions energy: -1070.391 where: short stacking energy: -444.954 Base-Backbone interact. energy: -1.184 local terms energy: -495.154696 where: bonds (distance) C4'-P energy: -96.493 bonds (distance) P-C4' energy: -88.408 flat angles C4'-P-C4' energy: -103.852 flat angles P-C4'-P energy: -75.647 tors. eta vs tors. theta energy: -130.754 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: 10 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -1465.662586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.662586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.662586 (E_RNA) where: Base-Base interactions energy: -1019.466 where: short stacking energy: -438.266 Base-Backbone interact. energy: -1.930 local terms energy: -444.267099 where: bonds (distance) C4'-P energy: -81.766 bonds (distance) P-C4' energy: -84.885 flat angles C4'-P-C4' energy: -95.122 flat angles P-C4'-P energy: -61.556 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: 6, replica: 4 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -1350.529776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.529776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.529776 (E_RNA) where: Base-Base interactions energy: -916.841 where: short stacking energy: -402.166 Base-Backbone interact. energy: -2.391 local terms energy: -431.297554 where: bonds (distance) C4'-P energy: -82.577 bonds (distance) P-C4' energy: -80.425 flat angles C4'-P-C4' energy: -94.218 flat angles P-C4'-P energy: -58.189 tors. eta vs tors. theta energy: -115.888 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: 5 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -1122.603679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.603679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.603679 (E_RNA) where: Base-Base interactions energy: -717.553 where: short stacking energy: -303.495 Base-Backbone interact. energy: -0.087 local terms energy: -404.963027 where: bonds (distance) C4'-P energy: -79.904 bonds (distance) P-C4' energy: -89.379 flat angles C4'-P-C4' energy: -93.033 flat angles P-C4'-P energy: -71.270 tors. eta vs tors. theta energy: -71.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -991.864118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.864118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.864118 (E_RNA) where: Base-Base interactions energy: -648.702 where: short stacking energy: -277.248 Base-Backbone interact. energy: -2.774 local terms energy: -340.387939 where: bonds (distance) C4'-P energy: -80.733 bonds (distance) P-C4' energy: -76.853 flat angles C4'-P-C4' energy: -72.792 flat angles P-C4'-P energy: -47.889 tors. eta vs tors. theta energy: -62.121 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: 493 Temperature: 1.300000 Total energy: -744.363194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.363194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.363194 (E_RNA) where: Base-Base interactions energy: -424.908 where: short stacking energy: -211.431 Base-Backbone interact. energy: 1.983 local terms energy: -321.438441 where: bonds (distance) C4'-P energy: -80.516 bonds (distance) P-C4' energy: -80.318 flat angles C4'-P-C4' energy: -86.782 flat angles P-C4'-P energy: -49.346 tors. eta vs tors. theta energy: -24.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -512.023484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.023484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.023484 (E_RNA) where: Base-Base interactions energy: -228.701 where: short stacking energy: -140.899 Base-Backbone interact. energy: -3.530 local terms energy: -279.792103 where: bonds (distance) C4'-P energy: -79.142 bonds (distance) P-C4' energy: -82.398 flat angles C4'-P-C4' energy: -61.751 flat angles P-C4'-P energy: -55.164 tors. eta vs tors. theta energy: -1.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -1739.505910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.505910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.505910 (E_RNA) where: Base-Base interactions energy: -1210.565 where: short stacking energy: -513.656 Base-Backbone interact. energy: -1.570 local terms energy: -527.370734 where: bonds (distance) C4'-P energy: -94.165 bonds (distance) P-C4' energy: -99.746 flat angles C4'-P-C4' energy: -108.820 flat angles P-C4'-P energy: -68.515 tors. eta vs tors. theta energy: -156.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -1704.839790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.839790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.839790 (E_RNA) where: Base-Base interactions energy: -1185.375 where: short stacking energy: -521.373 Base-Backbone interact. energy: -1.915 local terms energy: -517.550057 where: bonds (distance) C4'-P energy: -89.342 bonds (distance) P-C4' energy: -93.305 flat angles C4'-P-C4' energy: -114.188 flat angles P-C4'-P energy: -65.995 tors. eta vs tors. theta energy: -154.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -1689.451409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.451409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.451409 (E_RNA) where: Base-Base interactions energy: -1177.985 where: short stacking energy: -480.538 Base-Backbone interact. energy: -1.447 local terms energy: -510.019816 where: bonds (distance) C4'-P energy: -100.541 bonds (distance) P-C4' energy: -84.266 flat angles C4'-P-C4' energy: -110.560 flat angles P-C4'-P energy: -72.424 tors. eta vs tors. theta energy: -142.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -1569.582545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.582545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.582545 (E_RNA) where: Base-Base interactions energy: -1081.810 where: short stacking energy: -467.648 Base-Backbone interact. energy: 2.977 local terms energy: -490.749573 where: bonds (distance) C4'-P energy: -86.226 bonds (distance) P-C4' energy: -101.483 flat angles C4'-P-C4' energy: -103.589 flat angles P-C4'-P energy: -64.518 tors. eta vs tors. theta energy: -134.934 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: 5, replica: 10 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -1482.216150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.216150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.216150 (E_RNA) where: Base-Base interactions energy: -1012.617 where: short stacking energy: -434.576 Base-Backbone interact. energy: -3.030 local terms energy: -466.568489 where: bonds (distance) C4'-P energy: -94.851 bonds (distance) P-C4' energy: -88.690 flat angles C4'-P-C4' energy: -105.321 flat angles P-C4'-P energy: -59.759 tors. eta vs tors. theta energy: -117.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -1377.488378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.488378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.488378 (E_RNA) where: Base-Base interactions energy: -946.537 where: short stacking energy: -398.770 Base-Backbone interact. energy: -0.546 local terms energy: -430.405453 where: bonds (distance) C4'-P energy: -80.137 bonds (distance) P-C4' energy: -69.038 flat angles C4'-P-C4' energy: -107.268 flat angles P-C4'-P energy: -60.890 tors. eta vs tors. theta energy: -113.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -1116.420370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.420370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.420370 (E_RNA) where: Base-Base interactions energy: -739.980 where: short stacking energy: -335.184 Base-Backbone interact. energy: -2.210 local terms energy: -374.230355 where: bonds (distance) C4'-P energy: -87.965 bonds (distance) P-C4' energy: -86.393 flat angles C4'-P-C4' energy: -83.149 flat angles P-C4'-P energy: -43.794 tors. eta vs tors. theta energy: -72.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -980.529979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.529979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.529979 (E_RNA) where: Base-Base interactions energy: -624.554 where: short stacking energy: -296.604 Base-Backbone interact. energy: -3.363 local terms energy: -352.612432 where: bonds (distance) C4'-P energy: -89.432 bonds (distance) P-C4' energy: -77.875 flat angles C4'-P-C4' energy: -72.323 flat angles P-C4'-P energy: -46.410 tors. eta vs tors. theta energy: -66.573 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: 9 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -737.884933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.884933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.884933 (E_RNA) where: Base-Base interactions energy: -439.492 where: short stacking energy: -227.429 Base-Backbone interact. energy: 4.093 local terms energy: -302.485572 where: bonds (distance) C4'-P energy: -67.219 bonds (distance) P-C4' energy: -72.498 flat angles C4'-P-C4' energy: -79.866 flat angles P-C4'-P energy: -51.308 tors. eta vs tors. theta energy: -31.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -494.632164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.632164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.632164 (E_RNA) where: Base-Base interactions energy: -236.492 where: short stacking energy: -143.516 Base-Backbone interact. energy: 0.878 local terms energy: -259.018954 where: bonds (distance) C4'-P energy: -64.588 bonds (distance) P-C4' energy: -65.016 flat angles C4'-P-C4' energy: -78.799 flat angles P-C4'-P energy: -46.217 tors. eta vs tors. theta energy: -4.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -1738.487487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.487487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.487487 (E_RNA) where: Base-Base interactions energy: -1203.762 where: short stacking energy: -506.841 Base-Backbone interact. energy: -1.461 local terms energy: -533.264371 where: bonds (distance) C4'-P energy: -98.555 bonds (distance) P-C4' energy: -105.472 flat angles C4'-P-C4' energy: -111.730 flat angles P-C4'-P energy: -69.708 tors. eta vs tors. theta energy: -147.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -1669.218190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.218190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.218190 (E_RNA) where: Base-Base interactions energy: -1140.668 where: short stacking energy: -488.168 Base-Backbone interact. energy: -0.490 local terms energy: -528.059545 where: bonds (distance) C4'-P energy: -95.630 bonds (distance) P-C4' energy: -91.372 flat angles C4'-P-C4' energy: -112.175 flat angles P-C4'-P energy: -79.592 tors. eta vs tors. theta energy: -149.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -1679.624007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.624007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.624007 (E_RNA) where: Base-Base interactions energy: -1187.939 where: short stacking energy: -499.240 Base-Backbone interact. energy: -0.699 local terms energy: -490.986127 where: bonds (distance) C4'-P energy: -90.034 bonds (distance) P-C4' energy: -95.975 flat angles C4'-P-C4' energy: -101.046 flat angles P-C4'-P energy: -64.617 tors. eta vs tors. theta energy: -139.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -1556.043006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.043006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.043006 (E_RNA) where: Base-Base interactions energy: -1100.433 where: short stacking energy: -478.734 Base-Backbone interact. energy: -2.450 local terms energy: -453.159959 where: bonds (distance) C4'-P energy: -92.377 bonds (distance) P-C4' energy: -70.234 flat angles C4'-P-C4' energy: -101.479 flat angles P-C4'-P energy: -62.938 tors. eta vs tors. theta energy: -126.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -1528.205823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.205823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.205823 (E_RNA) where: Base-Base interactions energy: -1061.280 where: short stacking energy: -444.691 Base-Backbone interact. energy: 1.986 local terms energy: -468.911608 where: bonds (distance) C4'-P energy: -94.222 bonds (distance) P-C4' energy: -79.272 flat angles C4'-P-C4' energy: -97.233 flat angles P-C4'-P energy: -69.988 tors. eta vs tors. theta energy: -128.197 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: 6, replica: 4 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -1421.570716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.570716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.570716 (E_RNA) where: Base-Base interactions energy: -950.634 where: short stacking energy: -408.228 Base-Backbone interact. energy: 0.678 local terms energy: -471.615209 where: bonds (distance) C4'-P energy: -87.116 bonds (distance) P-C4' energy: -94.626 flat angles C4'-P-C4' energy: -103.644 flat angles P-C4'-P energy: -69.512 tors. eta vs tors. theta energy: -116.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -1102.725089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.725089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.725089 (E_RNA) where: Base-Base interactions energy: -741.212 where: short stacking energy: -324.884 Base-Backbone interact. energy: -0.826 local terms energy: -360.687186 where: bonds (distance) C4'-P energy: -63.835 bonds (distance) P-C4' energy: -90.107 flat angles C4'-P-C4' energy: -82.120 flat angles P-C4'-P energy: -57.525 tors. eta vs tors. theta energy: -67.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -964.093298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.093298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.093298 (E_RNA) where: Base-Base interactions energy: -602.166 where: short stacking energy: -280.443 Base-Backbone interact. energy: -2.445 local terms energy: -359.481609 where: bonds (distance) C4'-P energy: -80.721 bonds (distance) P-C4' energy: -88.839 flat angles C4'-P-C4' energy: -85.752 flat angles P-C4'-P energy: -48.752 tors. eta vs tors. theta energy: -55.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -761.955591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.955591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.955591 (E_RNA) where: Base-Base interactions energy: -444.202 where: short stacking energy: -222.630 Base-Backbone interact. energy: 2.420 local terms energy: -320.172873 where: bonds (distance) C4'-P energy: -80.489 bonds (distance) P-C4' energy: -89.018 flat angles C4'-P-C4' energy: -75.470 flat angles P-C4'-P energy: -49.448 tors. eta vs tors. theta energy: -25.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -537.421413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.421413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.421413 (E_RNA) where: Base-Base interactions energy: -281.945 where: short stacking energy: -173.339 Base-Backbone interact. energy: 3.180 local terms energy: -258.656110 where: bonds (distance) C4'-P energy: -71.935 bonds (distance) P-C4' energy: -83.918 flat angles C4'-P-C4' energy: -64.790 flat angles P-C4'-P energy: -24.790 tors. eta vs tors. theta energy: -13.223 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) out arg RESULTS//1/seq_2-869b13ce_01 DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 2 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -1754.737847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.737847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.737847 (E_RNA) where: Base-Base interactions energy: -1228.859 where: short stacking energy: -519.601 Base-Backbone interact. energy: 0.086 local terms energy: -525.964758 where: bonds (distance) C4'-P energy: -86.357 bonds (distance) P-C4' energy: -102.369 flat angles C4'-P-C4' energy: -113.674 flat angles P-C4'-P energy: -74.457 tors. eta vs tors. theta energy: -149.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -1692.877181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.877181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.877181 (E_RNA) where: Base-Base interactions energy: -1169.352 where: short stacking energy: -501.845 Base-Backbone interact. energy: -1.360 local terms energy: -522.164796 where: bonds (distance) C4'-P energy: -91.013 bonds (distance) P-C4' energy: -93.817 flat angles C4'-P-C4' energy: -106.784 flat angles P-C4'-P energy: -78.776 tors. eta vs tors. theta energy: -151.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -1668.094793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.094793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.094793 (E_RNA) where: Base-Base interactions energy: -1149.837 where: short stacking energy: -487.023 Base-Backbone interact. energy: -0.557 local terms energy: -517.700259 where: bonds (distance) C4'-P energy: -101.828 bonds (distance) P-C4' energy: -90.310 flat angles C4'-P-C4' energy: -105.763 flat angles P-C4'-P energy: -79.301 tors. eta vs tors. theta energy: -140.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -1568.467103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.467103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.467103 (E_RNA) where: Base-Base interactions energy: -1090.298 where: short stacking energy: -474.386 Base-Backbone interact. energy: -1.094 local terms energy: -477.075061 where: bonds (distance) C4'-P energy: -88.943 bonds (distance) P-C4' energy: -80.556 flat angles C4'-P-C4' energy: -102.594 flat angles P-C4'-P energy: -72.930 tors. eta vs tors. theta energy: -132.052 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: 10 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -1514.242780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.242780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.242780 (E_RNA) where: Base-Base interactions energy: -1046.315 where: short stacking energy: -440.605 Base-Backbone interact. energy: -0.136 local terms energy: -467.791831 where: bonds (distance) C4'-P energy: -84.366 bonds (distance) P-C4' energy: -88.788 flat angles C4'-P-C4' energy: -100.504 flat angles P-C4'-P energy: -70.429 tors. eta vs tors. theta energy: -123.705 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: 6, replica: 4 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -1416.792589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.792589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.792589 (E_RNA) where: Base-Base interactions energy: -984.943 where: short stacking energy: -412.253 Base-Backbone interact. energy: 3.275 local terms energy: -435.124994 where: bonds (distance) C4'-P energy: -80.351 bonds (distance) P-C4' energy: -80.569 flat angles C4'-P-C4' energy: -94.957 flat angles P-C4'-P energy: -56.651 tors. eta vs tors. theta energy: -122.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -1081.515295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.515295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.515295 (E_RNA) where: Base-Base interactions energy: -724.590 where: short stacking energy: -306.895 Base-Backbone interact. energy: -0.395 local terms energy: -356.530082 where: bonds (distance) C4'-P energy: -78.082 bonds (distance) P-C4' energy: -58.130 flat angles C4'-P-C4' energy: -95.052 flat angles P-C4'-P energy: -60.794 tors. eta vs tors. theta energy: -64.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -958.659418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.659418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.659418 (E_RNA) where: Base-Base interactions energy: -612.000 where: short stacking energy: -263.527 Base-Backbone interact. energy: 0.415 local terms energy: -347.074884 where: bonds (distance) C4'-P energy: -66.931 bonds (distance) P-C4' energy: -80.661 flat angles C4'-P-C4' energy: -84.517 flat angles P-C4'-P energy: -59.873 tors. eta vs tors. theta energy: -55.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -731.037494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.037494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.037494 (E_RNA) where: Base-Base interactions energy: -443.440 where: short stacking energy: -235.458 Base-Backbone interact. energy: -1.517 local terms energy: -286.081419 where: bonds (distance) C4'-P energy: -74.322 bonds (distance) P-C4' energy: -80.200 flat angles C4'-P-C4' energy: -54.218 flat angles P-C4'-P energy: -40.105 tors. eta vs tors. theta energy: -37.236 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: 3 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -532.829471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.829471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.829471 (E_RNA) where: Base-Base interactions energy: -265.593 where: short stacking energy: -153.637 Base-Backbone interact. energy: -2.045 local terms energy: -265.191266 where: bonds (distance) C4'-P energy: -74.644 bonds (distance) P-C4' energy: -71.993 flat angles C4'-P-C4' energy: -62.462 flat angles P-C4'-P energy: -46.579 tors. eta vs tors. theta energy: -9.513 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)